| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.2 | Very low | 77.5 | Confident | 178 Ų | 178 | 80.3 Ų | 80.3 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | 0 | 149.7 | 0 | -75.6 | 172.6 | 167.5 | 0 | 0 | 107.5 | |||||
| 2 | S | 62.4 | Low | 78.2 | Confident | 19 Ų | 19 | 83.5 Ų | 83.5 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.9 | 175.9 | -52 | 0 | 0 | 0 | 0 | 108 | K137 H139 | S2-K137 PolarHBondContact N-O 2.77Å; S2-H139 PolarHBondContact O-N 3.06Å |
| 3 | E | 75.6 | Confident | 78.6 | Confident | 123 Ų | 123 | 80.5 Ų | 80.5 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.1 | 172.2 | -70.9 | -170.9 | 153.3 | 0 | 0 | 109.8 | R117 H139 H141 | E3-R117 IonicContact OE1-CZ 3.06Å; E3-R117 IonicContact OE1-NH2 2.7Å; E3-R117 PolarHBondContact OE1-NH2 3.12Å; E3-H139 CarbonylContact C-O 3.52Å; E3-H139 WeakPolarHBondContact CA-O 3.39Å; E3-H139 HydrophobicContact CG-CB 3.98Å; E3-H141 IonicContact OE1-NE2 2.68Å |
| 4 | I | 83.2 | Confident | 79.1 | Confident | 16 Ų | 16 | 77.6 Ų | 77.6 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.8 | -179.7 | -64.4 | 171.1 | 0 | 0 | 0 | 106.7 | V6 I16 V17 L52 L138 H139 V140 H141 | I4-V6 HydrophobicContact CG2-CG2 4.06Å; I4-I16 HydrophobicContact CG2-CG2 3.51Å; I4-V17 HydrophobicContact CD1-CG2 3.5Å; I4-V17 VanDerWaalsContact CD1-CG2 3.5Å; I4-V17 HydrophobicContact CG1-CG2 4.1Å; I4-L52 HydrophobicContact CD1-CD2 3.89Å; I4-L138 HydrophobicContact CD1-CD1 3.63Å; I4-L138 HydrophobicContact CD1-CG 4.32Å; I4-L138 HydrophobicContact CG1-CD1 4.39Å; I4-H139 PolarHBondContact N-O 3.33Å; I4-V140 HydrophobicContact CB-CG2 4.02Å; I4-V140 HydrophobicContact CD1-CG2 4.19Å; I4-V140 HydrophobicContact CG2-CG2 4.24Å; I4-V140 WeakPolarHBondContact O-CA 3.29Å; I4-H141 PolarHBondContact O-N 3.03Å |
| 5 | K | 83.7 | Confident | 79.5 | Confident | 166 Ų | 166 | 75.5 Ų | 75.5 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.5 | 169.9 | -74.7 | 180 | 167.4 | -162.1 | 0 | 109.6 | H141 I143 | K5-H141 WeakPolarHBondContact CA-O 3.14Å; K5-I143 HydrophobicContact CB-CD1 3.93Å; K5-I143 HydrophobicContact CD-CD1 4.01Å; K5-I143 HydrophobicContact CG-CD1 4.14Å |
| 6 | V | 85.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.3 | 179.7 | 168.3 | 0 | 0 | 0 | 0 | 107.1 | I4 I10 I16 F43 I58 V140 H141 I142 I143 | I4-V6 HydrophobicContact CG2-CG2 4.06Å; V6-I10 HydrophobicContact CG1-CB 4.1Å; V6-I10 HydrophobicContact CG1-CD1 3.89Å; V6-I10 HydrophobicContact CG1-CG2 3.64Å; V6-I16 HydrophobicContact CG2-CG2 3.99Å; V6-F43 HydrophobicContact CG2-CE1 4.47Å; V6-F43 HydrophobicContact CG2-CZ 4.28Å; V6-I58 HydrophobicContact CG1-CD1 4.2Å; V6-V140 HydrophobicContact CB-CG1 4.18Å; V6-V140 HydrophobicContact CG2-CG1 3.78Å; V6-H141 PolarHBondContact N-O 2.99Å; V6-I142 HydrophobicContact CB-CG1 4.39Å; V6-I142 HydrophobicContact CG1-CG1 4.43Å; V6-I142 CarbonylContact O-C 3.57Å; V6-I142 VanDerWaalsContact O-CA 3.26Å; V6-I142 WeakPolarHBondContact O-CA 3.17Å; V6-I143 PolarHBondContact O-N 3.4Å |
| 7 | Y | 85.4 | Confident | 80.1 | Confident | 134 Ų | 134 | 69.5 Ų | 69.5 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 149.2 | 167 | -58.2 | -79.8 | 0 | 0 | 0 | 108.5 | N9 I10 I143 L145 | Y7-N9 VanDerWaalsContact C-N 3.3Å; Y7-N9 PolarHBondContact O-N 3.15Å; Y7-I10 PolarHBondContact O-N 2.88Å; Y7-I143 WeakPolarHBondContact CA-O 3.28Å; Y7-I143 HydrophobicContact CD1-CB 3.79Å; Y7-I143 HydrophobicContact CD1-CD1 4.33Å; Y7-I143 HydrophobicContact CD1-CG2 3.73Å; Y7-I143 HydrophobicContact CE1-CB 4.17Å; Y7-I143 HydrophobicContact CE1-CD1 3.99Å; Y7-I143 HydrophobicContact CE1-CG2 3.84Å; Y7-L145 HydrophobicContact CD1-CD2 3.94Å |
| 8 | E | 82.9 | Confident | 80.4 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 3% | 0.033 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -38.7 | -173.1 | 72.2 | -109.1 | 126.7 | 0 | 0 | 113.3 | I10 I58 L60 I142 I143 D144 L145 | E8-I10 PolarHBondContact O-N 3.49Å; E8-I58 CarbonylContact C-O 3.53Å; E8-I58 HydrophobicContact CB-CG2 4.05Å; E8-I58 CarbonylContact O-C 3.58Å; E8-I58 WeakPolarHBondContact O-CA 3.04Å; E8-I58 VanDerWaalsContact O-CB 3.28Å; E8-I58 WeakPolarHBondContact O-CB 3.49Å; E8-L60 HydrophobicContact CB-CG 4.43Å; E8-L60 VanDerWaalsContact OE2-CD1 3.29Å; E8-L60 WeakPolarHBondContact OE2-CD1 3.32Å; E8-L60 WeakPolarHBondContact OE2-CG 3.2Å; E8-I142 HydrophobicContact CB-CG2 4.04Å; E8-I143 PolarHBondContact N-O 2.7Å; E8-I143 VanDerWaalsContact N-O 3.14Å; E8-D144 VanDerWaalsContact OE2-CA 3.26Å; E8-D144 WeakPolarHBondContact OE2-CA 3.37Å; E8-L145 WeakPolarHBondContact OE1-CB 3.47Å; E8-L145 WeakPolarHBondContact OE1-CG 3.44Å; E8-L145 PolarHBondContact OE1-N 2.87Å |
| 9 | N | 80.9 | Confident | 80.5 | Confident | 111 Ų | 111 | 71 Ų | 71 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 14.9 | -177.4 | 73.8 | 2.1 | 0 | 0 | 0 | 116.6 | Y7 L145 | Y7-N9 VanDerWaalsContact C-N 3.3Å; Y7-N9 PolarHBondContact O-N 3.15Å; N9-L145 HydrophobicContact CB-CD1 3.91Å; N9-L145 WeakPolarHBondContact ND2-CD1 3.47Å |
| 10 | I | 81.8 | Confident | 80.7 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -68 | 130.4 | 178.8 | -161.6 | 149.3 | 0 | 0 | 0 | 112.2 | V6 Y7 E8 T14 I16 I58 | V6-I10 HydrophobicContact CG1-CB 4.1Å; V6-I10 HydrophobicContact CG1-CD1 3.89Å; V6-I10 HydrophobicContact CG1-CG2 3.64Å; Y7-I10 PolarHBondContact O-N 2.88Å; E8-I10 PolarHBondContact O-N 3.49Å; I10-T14 HydrophobicContact CG1-CG2 4.14Å; I10-T14 WeakPolarHBondContact CG1-OG1 3.38Å; I10-I16 HydrophobicContact CD1-CD1 3.33Å; I10-I16 HydrophobicContact CG1-CD1 4.21Å; I10-I58 HydrophobicContact CG2-CB 3.98Å; I10-I58 HydrophobicContact CG2-CD1 3.92Å; I10-I58 HydrophobicContact CG2-CG1 3.96Å |
| 11 | T | 83.4 | Confident | 80.7 | Confident | 92 Ų | 92 | 65 Ų | 65 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 155.8 | -173.1 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | G13 T14 | T11-G13 PolarHBondContact O-N 3.3Å; T11-T14 WeakPolarHBondContact O-CB 3.29Å; T11-T14 VanDerWaalsContact O-CG2 3.26Å; T11-T14 WeakPolarHBondContact O-CG2 3.49Å; T11-T14 PolarHBondContact O-N 2.78Å; T11-T14 PolarHBondContact O-OG1 3.13Å; T11-T14 WeakPolarHBondContact OG1-CG2 3.2Å |
| 12 | I | 84.9 | Confident | 82.3 | Confident | 119 Ų | 119 | 65 Ų | 65 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 132.2 | -179.8 | -60.7 | 174 | 0 | 0 | 0 | 110.5 | S56 | I12-S56 VanDerWaalsContact CG1-C 3.45Š|
| 13 | G | 83.5 | Confident | 83 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -3.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T11 S54 | T11-G13 PolarHBondContact O-N 3.3Å; G13-S54 WeakPolarHBondContact CA-O 3.06Å; G13-S54 PolarHBondContact N-O 2.8Å |
| 14 | T | 86.1 | Confident | 83 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | trans | -59.2 | 138.6 | 170.9 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | I10 T11 Y53 S54 | I10-T14 HydrophobicContact CG1-CG2 4.14Å; I10-T14 WeakPolarHBondContact CG1-OG1 3.38Å; T11-T14 WeakPolarHBondContact O-CB 3.29Å; T11-T14 VanDerWaalsContact O-CG2 3.26Å; T11-T14 WeakPolarHBondContact O-CG2 3.49Å; T11-T14 PolarHBondContact O-N 2.78Å; T11-T14 PolarHBondContact O-OG1 3.13Å; T11-T14 WeakPolarHBondContact OG1-CG2 3.2Å; T14-Y53 CarbonylContact O-C 3.58Å; T14-Y53 VanDerWaalsContact O-CA 3.23Å; T14-Y53 WeakPolarHBondContact O-CA 3.32Å; T14-S54 PolarHBondContact O-N 2.62Å; T14-S54 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 15 | V | 85.4 | Confident | 82.7 | Confident | 45 Ų | 45 | 67 Ų | 67 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.9 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | F18 N51 L52 Y53 | V15-F18 HydrophobicContact CB-CE1 4.03Å; V15-F18 HydrophobicContact CB-CE2 4.19Å; V15-F18 HydrophobicContact CB-CZ 3.85Å; V15-F18 HydrophobicContact CG1-CD1 3.76Å; V15-F18 HydrophobicContact CG1-CD2 3.96Å; V15-F18 HydrophobicContact CG1-CE1 3.77Å; V15-F18 HydrophobicContact CG1-CE2 3.96Å; V15-F18 HydrophobicContact CG1-CG 3.86Å; V15-F18 HydrophobicContact CG1-CZ 3.87Å; V15-F18 HydrophobicContact CG2-CE1 4.16Å; V15-F18 HydrophobicContact CG2-CZ 4.33Å; V15-N51 HydrophobicContact CG1-CB 4.22Å; V15-L52 CarbonylContact C-O 3.57Å; V15-Y53 HydrophobicContact CG2-CD1 3.77Å; V15-Y53 HydrophobicContact CG2-CE1 3.57Å |
| 16 | I | 84.7 | Confident | 82.3 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -41.2 | 179.1 | -43.6 | -56.2 | 0 | 0 | 0 | 110.9 | I4 V6 I10 F43 L52 | I4-I16 HydrophobicContact CG2-CG2 3.51Å; V6-I16 HydrophobicContact CG2-CG2 3.99Å; I10-I16 HydrophobicContact CD1-CD1 3.33Å; I10-I16 HydrophobicContact CG1-CD1 4.21Å; I16-F43 HydrophobicContact CD1-CD1 4.15Å; I16-F43 HydrophobicContact CD1-CE1 3.78Å; I16-F43 HydrophobicContact CG1-CD1 3.66Å; I16-F43 HydrophobicContact CG1-CE1 3.72Å; I16-L52 HydrophobicContact CB-CB 4.41Å; I16-L52 HydrophobicContact CB-CD2 4.15Å; I16-L52 HydrophobicContact CB-CG 4.27Å; I16-L52 HydrophobicContact CG1-CG 4.44Å; I16-L52 HydrophobicContact CG2-CD2 4.3Å; I16-L52 PolarHBondContact N-O 2.8Å |
| 17 | V | 84 | Confident | 81.8 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 124.4 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | I4 I20 L23 N51 L52 | I4-V17 HydrophobicContact CD1-CG2 3.5Å; I4-V17 VanDerWaalsContact CD1-CG2 3.5Å; I4-V17 HydrophobicContact CG1-CG2 4.1Å; V17-I20 HydrophobicContact CG1-CB 4.27Å; V17-I20 HydrophobicContact CG1-CG1 4.24Å; V17-L23 HydrophobicContact CG1-CB 4.44Å; V17-L23 HydrophobicContact CG1-CD2 4.11Å; V17-L23 HydrophobicContact CG2-CD2 4.34Å; V17-N51 VanDerWaalsContact O-CA 3.32Å; V17-N51 WeakPolarHBondContact O-CA 3.35Å; V17-L52 HydrophobicContact CB-CB 4.13Å; V17-L52 HydrophobicContact CG2-CD2 4.46Å; V17-L52 PolarHBondContact N-O 3.18Å; V17-L52 PolarHBondContact O-N 3.26Å |
| 18 | F | 85.8 | Confident | 81.3 | Confident | 148 Ų | 148 | 65.4 Ų | 65.4 | 65% | 0.649 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -79.4 | 118.9 | 170.1 | -68.3 | -86.2 | 0 | 0 | 0 | 110.5 | V15 N51 | V15-F18 HydrophobicContact CB-CE1 4.03Å; V15-F18 HydrophobicContact CB-CE2 4.19Å; V15-F18 HydrophobicContact CB-CZ 3.85Å; V15-F18 HydrophobicContact CG1-CD1 3.76Å; V15-F18 HydrophobicContact CG1-CD2 3.96Å; V15-F18 HydrophobicContact CG1-CE1 3.77Å; V15-F18 HydrophobicContact CG1-CE2 3.96Å; V15-F18 HydrophobicContact CG1-CG 3.86Å; V15-F18 HydrophobicContact CG1-CZ 3.87Å; V15-F18 HydrophobicContact CG2-CE1 4.16Å; V15-F18 HydrophobicContact CG2-CZ 4.33Å; F18-N51 WeakPolarHBondContact CA-OD1 3.44Å |
| 19 | D | 83.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | trans | 46.2 | 80.3 | -177.9 | -167 | 14.5 | 0 | 0 | 0 | 114.4 | R21 K22 G50 N51 | D19-R21 PolarHBondContact O-N 3.38Å; D19-R21 WeakPolarHBondContact OD1-CB 3.16Å; D19-R21 IonicContact OD1-CZ 2.96Å; D19-R21 IonicContact OD1-NE 3.86Å; D19-R21 PolarHBondContact OD1-NE 2.86Å; D19-R21 IonicContact OD1-NH2 3.14Å; D19-R21 PolarHBondContact OD1-NH2 2.7Å; D19-R21 VanDerWaalsContact OD1-NH2 3.11Å; D19-K22 HydrophobicContact CB-CB 4.47Å; D19-K22 WeakPolarHBondContact O-CA 3.44Å; D19-K22 WeakPolarHBondContact O-CB 3.32Å; D19-K22 PolarHBondContact O-N 3.32Å; D19-G50 CarbonylContact C-O 3.59Å; D19-G50 WeakPolarHBondContact CA-O 3.48Å; D19-N51 PolarHBondContact N-OD1 3.42Å | ||
| 20 | I | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.8 | -21.7 | -178.3 | -151.5 | 162.2 | 0 | 0 | 0 | 113.4 | V17 K22 L23 I24 I32 L45 G50 L52 I122 L138 | V17-I20 HydrophobicContact CG1-CB 4.27Å; V17-I20 HydrophobicContact CG1-CG1 4.24Å; I20-K22 PolarHBondContact O-N 3.06Å; I20-L23 HydrophobicContact CG1-CB 4.25Å; I20-L23 HydrophobicContact CG1-CD2 4.33Å; I20-L23 CarbonylContact O-C 3.52Å; I20-L23 WeakPolarHBondContact O-CA 3.25Å; I20-L23 VanDerWaalsContact O-CB 3.29Å; I20-L23 WeakPolarHBondContact O-CB 3.41Å; I20-L23 PolarHBondContact O-N 2.86Å; I20-I24 HydrophobicContact CG1-CD1 4.21Å; I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 VanDerWaalsContact O-CD1 3.32Å; I20-I24 WeakPolarHBondContact O-CD1 3.29Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.03Å; I20-I32 HydrophobicContact CG2-CD1 3.77Å; I20-L45 HydrophobicContact CB-CD1 4.2Å; I20-L45 HydrophobicContact CG2-CD1 3.52Å; I20-L45 HydrophobicContact CG2-CD2 4.18Å; I20-L45 HydrophobicContact CG2-CG 4.5Å; I20-G50 WeakPolarHBondContact CB-O 3.43Å; I20-G50 WeakPolarHBondContact CG2-O 3.25Å; I20-G50 PolarHBondContact N-O 2.83Å; I20-L52 HydrophobicContact CD1-CD2 4.48Å; I20-I122 HydrophobicContact CD1-CD1 3.63Å; I20-I122 HydrophobicContact CG1-CD1 4.08Å; I20-L138 HydrophobicContact CD1-CD1 3.99Å; I20-L138 HydrophobicContact CD1-CD2 3.99Å |
| 21 | R | 80.3 | Confident | 80.2 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 6% | 0.06 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -36.5 | 172 | -66.1 | 175 | -70.8 | -145.1 | -5.1 | 111.6 | D19 L23 I24 G25 I26 K28 I32 I48 T49 | D19-R21 PolarHBondContact O-N 3.38Å; D19-R21 WeakPolarHBondContact OD1-CB 3.16Å; D19-R21 IonicContact OD1-CZ 2.96Å; D19-R21 IonicContact OD1-NE 3.86Å; D19-R21 PolarHBondContact OD1-NE 2.86Å; D19-R21 IonicContact OD1-NH2 3.14Å; D19-R21 PolarHBondContact OD1-NH2 2.7Å; D19-R21 VanDerWaalsContact OD1-NH2 3.11Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.84Å; R21-I24 PolarHBondContact O-N 3.17Å; R21-G25 PolarHBondContact O-N 3.2Å; R21-I26 HydrophobicContact CB-CD1 4.15Å; R21-I26 HydrophobicContact CB-CG1 3.73Å; R21-I26 HydrophobicContact CG-CD1 3.75Å; R21-I26 HydrophobicContact CG-CG1 3.9Å; R21-I26 PolarHBondContact O-N 3.36Å; R21-I26 VanDerWaalsContact O-N 3.15Å; R21-K28 PolarHBondContact NH1-O 2.82Å; R21-I32 HydrophobicContact CG-CD1 3.53Å; R21-I32 HydrophobicContact CG-CG1 4.15Å; R21-I32 HydrophobicContact CG-CG2 4.19Å; R21-I48 PolarHBondContact NH1-O 2.91Å; R21-I48 VanDerWaalsContact NH1-O 3.15Å; R21-I48 PolarHBondContact NH2-O 2.87Å; R21-T49 PolarHBondContact NH2-O 2.95Å |
| 22 | K | 81.9 | Confident | 80.1 | Confident | 179 Ų | 179 | 64.3 Ų | 64.3 | 78% | 0.778 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.5 | -26.5 | 174.6 | -151.2 | -178.2 | -175.6 | -170.1 | 0 | 112.7 | D19 I20 | D19-K22 HydrophobicContact CB-CB 4.47Å; D19-K22 WeakPolarHBondContact O-CA 3.44Å; D19-K22 WeakPolarHBondContact O-CB 3.32Å; D19-K22 PolarHBondContact O-N 3.32Å; I20-K22 PolarHBondContact O-N 3.06Å |
| 23 | L | 76.3 | Confident | 80 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 45% | 0.45 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -84.8 | -19.8 | 176.4 | -153.4 | 78.4 | 0 | 0 | 0 | 113.1 | V17 I20 R21 | V17-L23 HydrophobicContact CG1-CB 4.44Å; V17-L23 HydrophobicContact CG1-CD2 4.11Å; V17-L23 HydrophobicContact CG2-CD2 4.34Å; I20-L23 HydrophobicContact CG1-CB 4.25Å; I20-L23 HydrophobicContact CG1-CD2 4.33Å; I20-L23 CarbonylContact O-C 3.52Å; I20-L23 WeakPolarHBondContact O-CA 3.25Å; I20-L23 VanDerWaalsContact O-CB 3.29Å; I20-L23 WeakPolarHBondContact O-CB 3.41Å; I20-L23 PolarHBondContact O-N 2.86Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.84Å |
| 24 | I | 77.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -103.5 | -26.1 | -178.7 | -54.3 | 153.3 | 0 | 0 | 0 | 112 | I20 R21 I26 I122 I135 A136 | I20-I24 HydrophobicContact CG1-CD1 4.21Å; I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 VanDerWaalsContact O-CD1 3.32Å; I20-I24 WeakPolarHBondContact O-CD1 3.29Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.03Å; R21-I24 PolarHBondContact O-N 3.17Å; I24-I26 HydrophobicContact CB-CG1 4.23Å; I24-I26 HydrophobicContact CD1-CD1 4.16Å; I24-I26 HydrophobicContact CG2-CG1 4.45Å; I24-I26 HydrophobicContact CG2-CG2 4.21Å; I24-I122 HydrophobicContact CD1-CB 4.42Å; I24-I122 HydrophobicContact CD1-CD1 3.53Å; I24-I122 HydrophobicContact CD1-CG2 3.99Å; I24-I122 HydrophobicContact CG1-CD1 4.14Å; I24-I135 HydrophobicContact CG2-CD1 4.3Å; I24-A136 HydrophobicContact CG1-CB 4.32Å; I24-A136 HydrophobicContact CG2-CB 3.9Å |
| 25 | G | 76.5 | Confident | 80 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 72% | 0.722 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 29.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R21 | R21-G25 PolarHBondContact O-N 3.2Š|
| 26 | I | 74.2 | Confident | 79.8 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | trans | -109.2 | 161 | -178.4 | 52.4 | 169.5 | 0 | 0 | 0 | 112.3 | R21 I24 T30 I32 I135 | R21-I26 HydrophobicContact CB-CD1 4.15Å; R21-I26 HydrophobicContact CB-CG1 3.73Å; R21-I26 HydrophobicContact CG-CD1 3.75Å; R21-I26 HydrophobicContact CG-CG1 3.9Å; R21-I26 PolarHBondContact O-N 3.36Å; R21-I26 VanDerWaalsContact O-N 3.15Å; I24-I26 HydrophobicContact CB-CG1 4.23Å; I24-I26 HydrophobicContact CD1-CD1 4.16Å; I24-I26 HydrophobicContact CG2-CG1 4.45Å; I24-I26 HydrophobicContact CG2-CG2 4.21Å; I26-T30 HydrophobicContact CD1-CG2 4.15Å; I26-I32 HydrophobicContact CD1-CG2 3.54Å; I26-I135 HydrophobicContact CD1-CD1 3.56Å; I26-I135 HydrophobicContact CG2-CD1 4.19Å | ||
| 27 | S | 75.7 | Confident | 79.6 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | trans | -63 | 148 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | S29 T30 | S27-S29 PolarHBondContact O-N 2.92Å; S27-S29 PolarHBondContact OG-N 2.86Å; S27-S29 VanDerWaalsContact OG-N 3.13Å; S27-S29 PolarHBondContact OG-OG 2.99Å; S27-T30 VanDerWaalsContact O-CB 3.27Å; S27-T30 WeakPolarHBondContact O-CB 3.42Å; S27-T30 PolarHBondContact O-N 3.28Å; S27-T30 PolarHBondContact O-OG1 2.78Å | ||
| 28 | K | 74 | Confident | 79.3 | Confident | 158 Ų | 158 | 65.5 Ų | 65.5 | 69% | 0.687 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.8 | 168.6 | -74.6 | -171.6 | 169.6 | -169.7 | 0 | 113.5 | R21 T30 | R21-K28 PolarHBondContact NH1-O 2.82Å; K28-T30 VanDerWaalsContact C-N 3.33Å |
| 29 | S | 70.2 | Confident | 79.2 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.8 | 173.5 | 61 | 0 | 0 | 0 | 0 | 113.6 | S27 Y31 | S27-S29 PolarHBondContact O-N 2.92Å; S27-S29 PolarHBondContact OG-N 2.86Å; S27-S29 VanDerWaalsContact OG-N 3.13Å; S27-S29 PolarHBondContact OG-OG 2.99Å; S29-Y31 PolarHBondContact O-N 3.06Å |
| 30 | T | 74.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -70 | 122.2 | -177.8 | -57 | 0 | 0 | 0 | 0 | 110.4 | I26 S27 K28 I32 A124 S125 | I26-T30 HydrophobicContact CD1-CG2 4.15Å; S27-T30 VanDerWaalsContact O-CB 3.27Å; S27-T30 WeakPolarHBondContact O-CB 3.42Å; S27-T30 PolarHBondContact O-N 3.28Å; S27-T30 PolarHBondContact O-OG1 2.78Å; K28-T30 VanDerWaalsContact C-N 3.33Å; T30-I32 HydrophobicContact CG2-CG2 4.38Å; T30-A124 HydrophobicContact CG2-CB 3.74Å; T30-S125 WeakPolarHBondContact CG2-O 3.27Å |
| 31 | Y | 78.7 | Confident | 79.1 | Confident | 101 Ų | 101 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.5 | 170.1 | 178 | -82.5 | 0 | 0 | 0 | 109 | S29 K33 N47 A124 S125 | S29-Y31 PolarHBondContact O-N 3.06Å; Y31-K33 HydrophobicContact CE1-CB 4.13Å; Y31-N47 HydrophobicContact CE2-CB 4.15Å; Y31-N47 VanDerWaalsContact CE2-ND2 3.35Å; Y31-N47 WeakPolarHBondContact CE2-ND2 3.33Å; Y31-A124 WeakPolarHBondContact O-CA 3.29Å; Y31-A124 WeakPolarHBondContact O-CB 3.37Å; Y31-S125 PolarHBondContact N-O 3.43Å; Y31-S125 PolarHBondContact O-N 3.27Å; Y31-S125 VanDerWaalsContact O-N 3.17Å |
| 32 | I | 81.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146 | -178.5 | 45.1 | 158.4 | 0 | 0 | 0 | 112.7 | I20 R21 I26 T30 L45 N47 I122 L123 A124 | I20-I32 HydrophobicContact CG2-CD1 3.77Å; R21-I32 HydrophobicContact CG-CD1 3.53Å; R21-I32 HydrophobicContact CG-CG1 4.15Å; R21-I32 HydrophobicContact CG-CG2 4.19Å; I26-I32 HydrophobicContact CD1-CG2 3.54Å; T30-I32 HydrophobicContact CG2-CG2 4.38Å; I32-L45 HydrophobicContact CB-CD2 4.27Å; I32-L45 HydrophobicContact CD1-CD1 4.21Å; I32-L45 HydrophobicContact CD1-CD2 3.99Å; I32-L45 HydrophobicContact CD1-CG 4.26Å; I32-L45 HydrophobicContact CG1-CD2 4.41Å; I32-N47 WeakPolarHBondContact O-CB 3.35Å; I32-I122 HydrophobicContact CG2-CG2 4.46Å; I32-L123 CarbonylContact C-O 3.53Å; I32-L123 WeakPolarHBondContact CA-O 3.48Å; I32-A124 HydrophobicContact CG2-CB 4.25Å |
| 33 | K | 83.3 | Confident | 79.6 | Confident | 119 Ų | 119 | 56.4 Ų | 56.4 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.1 | 176.2 | -167.6 | -179.4 | 174.3 | -178.8 | 0 | 110 | Y31 L123 | Y31-K33 HydrophobicContact CE1-CB 4.13Å; K33-L123 PolarHBondContact N-O 3.03Å; K33-L123 WeakPolarHBondContact O-CB 3.42Å; K33-L123 PolarHBondContact O-N 3.34Å |
| 34 | L | 85.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 149.5 | 168.4 | -58.3 | 177.4 | 0 | 0 | 0 | 111 | L39 T40 L45 L52 T120 I122 L138 | L34-L39 HydrophobicContact CD1-CD2 4.13Å; L34-T40 HydrophobicContact CB-CG2 3.43Å; L34-T40 VanDerWaalsContact CB-CG2 3.43Å; L34-T40 HydrophobicContact CD1-CG2 3.75Å; L34-T40 HydrophobicContact CG-CG2 4.23Å; L34-L45 HydrophobicContact CD1-CB 3.94Å; L34-L45 HydrophobicContact CD2-CB 4.13Å; L34-L45 HydrophobicContact CD2-CD2 3.82Å; L34-L45 HydrophobicContact CG-CB 3.63Å; L34-L45 HydrophobicContact CG-CD2 4.05Å; L34-L52 HydrophobicContact CD1-CD1 3.92Å; L34-T120 HydrophobicContact CB-CG2 4.46Å; L34-T120 HydrophobicContact CD2-CG2 3.91Å; L34-I122 HydrophobicContact CD2-CG1 4.03Å; L34-L138 HydrophobicContact CD2-CD2 4.28Å |
| 35 | S | 83 | Confident | 80.6 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 146.8 | 165.9 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | S37 T40 T120 F121 | S35-S37 PolarHBondContact O-N 3.33Å; S35-S37 PolarHBondContact O-OG 3.11Å; S35-T40 VanDerWaalsContact O-CG2 3.32Å; S35-T40 WeakPolarHBondContact O-CG2 3.45Å; S35-T120 PolarHBondContact O-OG1 2.97Å; S35-T120 PolarHBondContact OG-OG1 3.15Å; S35-F121 PolarHBondContact N-O 3.12Å; S35-F121 WeakPolarHBondContact OG-CA 3.4Å; S35-F121 WeakPolarHBondContact OG-CB 3.4Å; S35-F121 PolarHBondContact OG-N 2.67Å; S35-F121 PolarHBondContact OG-O 2.97Å |
| 36 | P | 81.7 | Confident | 81.1 | Confident | 124 Ų | 124 | 57.8 Ų | 57.8 | 81% | 0.805 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -53.2 | 129.1 | 170.1 | -25.1 | 35.1 | 0 | 0 | 0 | 111.7 | ||
| 37 | S | 80.9 | Confident | 81.2 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -171.2 | 166.8 | -168.1 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | S35 L39 T40 T120 | S35-S37 PolarHBondContact O-N 3.33Å; S35-S37 PolarHBondContact O-OG 3.11Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.22Å; S37-T40 PolarHBondContact N-OG1 2.79Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 VanDerWaalsContact O-N 3.12Å; S37-T40 PolarHBondContact O-OG1 3.05Å; S37-T40 PolarHBondContact OG-N 2.82Å; S37-T40 PolarHBondContact OG-OG1 3.22Å; S37-T120 VanDerWaalsContact CB-OG1 3.31Å; S37-T120 WeakPolarHBondContact CB-OG1 3.41Å; S37-T120 WeakPolarHBondContact OG-CB 3.23Å; S37-T120 PolarHBondContact OG-OG1 3.15Å |
| 38 | S | 76.5 | Confident | 81.4 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -54.3 | -44.4 | 167.6 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | T40 Q41 F42 E69 | S38-T40 PolarHBondContact O-N 3.39Å; S38-T40 VanDerWaalsContact O-N 3.15Å; S38-Q41 WeakPolarHBondContact O-CB 3.38Å; S38-Q41 PolarHBondContact O-N 3.23Å; S38-F42 WeakPolarHBondContact O-CD2 3.49Å; S38-E69 WeakPolarHBondContact CB-OE2 3.24Å; S38-E69 PolarHBondContact OG-OE2 3.01Å |
| 39 | L | 83.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -34.2 | 176.4 | -162.4 | 152.3 | 0 | 0 | 0 | 113.1 | L34 S37 Q41 F42 F43 L118 T120 L138 V140 | L34-L39 HydrophobicContact CD1-CD2 4.13Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.22Å; L39-Q41 PolarHBondContact O-N 2.95Å; L39-F42 PolarHBondContact O-N 2.77Å; L39-F43 HydrophobicContact CD2-CB 3.9Å; L39-F43 HydrophobicContact CD2-CD2 3.86Å; L39-F43 HydrophobicContact CD2-CG 4.26Å; L39-F43 HydrophobicContact CG-CD2 3.85Å; L39-F43 PolarHBondContact O-N 2.86Å; L39-L118 HydrophobicContact CB-CB 4.13Å; L39-L118 HydrophobicContact CD1-CB 4.19Å; L39-L118 HydrophobicContact CG-CB 4.21Å; L39-T120 HydrophobicContact CB-CG2 4.22Å; L39-T120 HydrophobicContact CD1-CG2 4.05Å; L39-T120 HydrophobicContact CD2-CG2 3.84Å; L39-T120 HydrophobicContact CG-CG2 4.27Å; L39-L138 HydrophobicContact CD1-CD2 4.32Å; L39-L138 HydrophobicContact CD1-CG 4.43Å; L39-L138 HydrophobicContact CD2-CD2 4.23Å; L39-V140 HydrophobicContact CD1-CB 4.14Å; L39-V140 HydrophobicContact CD1-CG2 3.73Å; L39-V140 HydrophobicContact CG-CG2 4.43Å |
| 40 | T | 81.9 | Confident | 82.5 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.6 | -2.9 | 177.3 | 46.7 | 0 | 0 | 0 | 0 | 115.7 | L34 S35 S37 S38 | L34-T40 HydrophobicContact CB-CG2 3.43Å; L34-T40 VanDerWaalsContact CB-CG2 3.43Å; L34-T40 HydrophobicContact CD1-CG2 3.75Å; L34-T40 HydrophobicContact CG-CG2 4.23Å; S35-T40 VanDerWaalsContact O-CG2 3.32Å; S35-T40 WeakPolarHBondContact O-CG2 3.45Å; S37-T40 PolarHBondContact N-OG1 2.79Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 VanDerWaalsContact O-N 3.12Å; S37-T40 PolarHBondContact O-OG1 3.05Å; S37-T40 PolarHBondContact OG-N 2.82Å; S37-T40 PolarHBondContact OG-OG1 3.22Å; S38-T40 PolarHBondContact O-N 3.39Å; S38-T40 VanDerWaalsContact O-N 3.15Å |
| 41 | Q | 83 | Confident | 83.2 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -83.6 | -32.1 | 168.9 | -63.8 | 173.6 | -62.5 | 0 | 0 | 111.6 | S38 L39 I55 | S38-Q41 WeakPolarHBondContact O-CB 3.38Å; S38-Q41 PolarHBondContact O-N 3.23Å; L39-Q41 PolarHBondContact O-N 2.95Å; Q41-I55 WeakPolarHBondContact O-CD1 3.44Å |
| 42 | F | 86 | Confident | 83.7 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -101.1 | -26.2 | -176.1 | -59.7 | -86.1 | 0 | 0 | 0 | 113 | S38 L39 S54 I55 S56 I58 L65 T68 L118 | S38-F42 WeakPolarHBondContact O-CD2 3.49Å; L39-F42 PolarHBondContact O-N 2.77Å; F42-S54 PolarHBondContact O-OG 3.46Å; F42-I55 VanDerWaalsContact C-CG1 3.43Å; F42-I55 VanDerWaalsContact O-CG1 3.27Å; F42-I55 WeakPolarHBondContact O-CG1 3.47Å; F42-I55 PolarHBondContact O-N 3.17Å; F42-S56 WeakPolarHBondContact CD1-OG 3.45Å; F42-I58 HydrophobicContact CB-CD1 4.47Å; F42-I58 HydrophobicContact CD1-CG1 4.28Å; F42-L65 HydrophobicContact CD1-CD1 3.96Å; F42-L65 HydrophobicContact CE1-CD1 3.34Å; F42-L65 HydrophobicContact CE1-CG 4.42Å; F42-L65 HydrophobicContact CZ-CD1 3.78Å; F42-L65 HydrophobicContact CZ-CG 4.46Å; F42-T68 HydrophobicContact CE2-CG2 4.1Å; F42-T68 VanDerWaalsContact CE2-OG1 3.23Å; F42-T68 WeakPolarHBondContact CE2-OG1 3.44Å; F42-T68 HydrophobicContact CZ-CG2 4.01Å; F42-T68 WeakPolarHBondContact CZ-OG1 3.26Å; F42-L118 HydrophobicContact CB-CD1 4.36Å; F42-L118 HydrophobicContact CD2-CD1 3.99Å; F42-L118 HydrophobicContact CD2-CD2 4.39Å; F42-L118 HydrophobicContact CG-CD1 4.25Å |
| 43 | F | 87.5 | Confident | 84 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143 | -177 | -52.5 | -82.5 | 0 | 0 | 0 | 113.7 | V6 I16 L39 L52 Y53 I58 L118 V140 | V6-F43 HydrophobicContact CG2-CE1 4.47Å; V6-F43 HydrophobicContact CG2-CZ 4.28Å; I16-F43 HydrophobicContact CD1-CD1 4.15Å; I16-F43 HydrophobicContact CD1-CE1 3.78Å; I16-F43 HydrophobicContact CG1-CD1 3.66Å; I16-F43 HydrophobicContact CG1-CE1 3.72Å; L39-F43 HydrophobicContact CD2-CB 3.9Å; L39-F43 HydrophobicContact CD2-CD2 3.86Å; L39-F43 HydrophobicContact CD2-CG 4.26Å; L39-F43 HydrophobicContact CG-CD2 3.85Å; L39-F43 PolarHBondContact O-N 2.86Å; F43-L52 HydrophobicContact CB-CD1 3.92Å; F43-L52 HydrophobicContact CB-CG 4.3Å; F43-Y53 CarbonylContact C-O 3.55Å; F43-Y53 VanDerWaalsContact CA-O 3.24Å; F43-Y53 WeakPolarHBondContact CA-O 3.21Å; F43-I58 HydrophobicContact CE1-CD1 4.14Å; F43-I58 HydrophobicContact CE2-CD1 4.06Å; F43-I58 HydrophobicContact CZ-CD1 3.44Å; F43-I58 VanDerWaalsContact CZ-CD1 3.44Å; F43-L118 HydrophobicContact CE2-CD1 3.9Å; F43-V140 HydrophobicContact CE2-CB 4.35Å; F43-V140 HydrophobicContact CE2-CG1 3.89Å; F43-V140 HydrophobicContact CE2-CG2 4.31Å; F43-V140 HydrophobicContact CZ-CG1 3.86Å |
| 44 | R | 87.3 | Confident | 84.2 | Confident | 173 Ų | 173 | 45 Ų | 45 | 65% | 0.653 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.4 | 177.5 | 179.5 | 176.5 | 176.1 | 173.6 | -1.7 | 110.9 | Y53 I55 | R44-Y53 PolarHBondContact N-O 2.85Å; R44-Y53 PolarHBondContact O-N 2.93Å; R44-I55 HydrophobicContact CB-CD1 4.44Å; R44-I55 HydrophobicContact CB-CG2 3.52Å |
| 45 | L | 87.2 | Confident | 84.3 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127 | 170.1 | -176 | 63.9 | 0 | 0 | 0 | 109.9 | I20 I32 L34 G50 L52 I122 | I20-L45 HydrophobicContact CB-CD1 4.2Å; I20-L45 HydrophobicContact CG2-CD1 3.52Å; I20-L45 HydrophobicContact CG2-CD2 4.18Å; I20-L45 HydrophobicContact CG2-CG 4.5Å; I32-L45 HydrophobicContact CB-CD2 4.27Å; I32-L45 HydrophobicContact CD1-CD1 4.21Å; I32-L45 HydrophobicContact CD1-CD2 3.99Å; I32-L45 HydrophobicContact CD1-CG 4.26Å; I32-L45 HydrophobicContact CG1-CD2 4.41Å; L34-L45 HydrophobicContact CD1-CB 3.94Å; L34-L45 HydrophobicContact CD2-CB 4.13Å; L34-L45 HydrophobicContact CD2-CD2 3.82Å; L34-L45 HydrophobicContact CG-CB 3.63Å; L34-L45 HydrophobicContact CG-CD2 4.05Å; L45-G50 VanDerWaalsContact CD1-O 3.25Å; L45-G50 WeakPolarHBondContact CD1-O 3.49Å; L45-L52 HydrophobicContact CB-CD1 4.35Å; L45-I122 HydrophobicContact CD2-CG2 4.39Å |
| 46 | D | 85.9 | Confident | 84.3 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | trans | -79.9 | 126.5 | 165.6 | 173.1 | 22 | 0 | 0 | 0 | 109.8 | I48 T49 G50 N51 Y53 | D46-I48 VanDerWaalsContact C-N 3.3Å; D46-I48 PolarHBondContact O-N 2.88Å; D46-I48 PolarHBondContact OD1-N 2.85Å; D46-T49 WeakPolarHBondContact OD2-CB 3.35Å; D46-T49 VanDerWaalsContact OD2-CG2 3.24Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.19Å; D46-T49 PolarHBondContact OD2-N 2.92Å; D46-T49 PolarHBondContact OD2-OG1 3.49Å; D46-G50 WeakPolarHBondContact O-CA 3.33Å; D46-G50 PolarHBondContact O-N 2.85Å; D46-N51 PolarHBondContact N-O 2.88Å; D46-Y53 HydrophobicContact CB-CE2 3.78Å | ||
| 47 | N | 77.5 | Confident | 84.4 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.2 | 179.1 | 62.6 | -48.7 | 0 | 0 | 0 | 113.4 | Y31 I32 | Y31-N47 HydrophobicContact CE2-CB 4.15Å; Y31-N47 VanDerWaalsContact CE2-ND2 3.35Å; Y31-N47 WeakPolarHBondContact CE2-ND2 3.33Å; I32-N47 WeakPolarHBondContact O-CB 3.35Å |
| 48 | I | 79.5 | Confident | 84.5 | Confident | 130 Ų | 130 | 45.2 Ų | 45.2 | 67% | 0.667 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -63.2 | 178.5 | -56.7 | 178 | 0 | 0 | 0 | 110.3 | R21 D46 G50 | R21-I48 PolarHBondContact NH1-O 2.91Å; R21-I48 VanDerWaalsContact NH1-O 3.15Å; R21-I48 PolarHBondContact NH2-O 2.87Å; D46-I48 VanDerWaalsContact C-N 3.3Å; D46-I48 PolarHBondContact O-N 2.88Å; D46-I48 PolarHBondContact OD1-N 2.85Å; I48-G50 VanDerWaalsContact C-N 3.35Å |
| 49 | T | 84.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.1 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | R21 D46 N51 | R21-T49 PolarHBondContact NH2-O 2.95Å; D46-T49 WeakPolarHBondContact OD2-CB 3.35Å; D46-T49 VanDerWaalsContact OD2-CG2 3.24Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.19Å; D46-T49 PolarHBondContact OD2-N 2.92Å; D46-T49 PolarHBondContact OD2-OG1 3.49Å; T49-N51 PolarHBondContact O-N 2.95Å; T49-N51 WeakPolarHBondContact OG1-CB 3.5Å; T49-N51 VanDerWaalsContact OG1-CG 3.31Å; T49-N51 PolarHBondContact OG1-N 3.42Å; T49-N51 PolarHBondContact OG1-ND2 2.87Å; T49-N51 VanDerWaalsContact OG1-ND2 3.15Å |
| 50 | G | 83.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | 75.3 | 3.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D19 I20 L45 D46 I48 | D19-G50 CarbonylContact C-O 3.59Å; D19-G50 WeakPolarHBondContact CA-O 3.48Å; I20-G50 WeakPolarHBondContact CB-O 3.43Å; I20-G50 WeakPolarHBondContact CG2-O 3.25Å; I20-G50 PolarHBondContact N-O 2.83Å; L45-G50 VanDerWaalsContact CD1-O 3.25Å; L45-G50 WeakPolarHBondContact CD1-O 3.49Å; D46-G50 WeakPolarHBondContact O-CA 3.33Å; D46-G50 PolarHBondContact O-N 2.85Å; I48-G50 VanDerWaalsContact C-N 3.35Å | ||
| 51 | N | 88.8 | Confident | 84.6 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -71.2 | 137.7 | -178.7 | -66.4 | -23.8 | 0 | 0 | 0 | 111.2 | V15 V17 F18 D19 D46 T49 Y53 | V15-N51 HydrophobicContact CG1-CB 4.22Å; V17-N51 VanDerWaalsContact O-CA 3.32Å; V17-N51 WeakPolarHBondContact O-CA 3.35Å; F18-N51 WeakPolarHBondContact CA-OD1 3.44Å; D19-N51 PolarHBondContact N-OD1 3.42Å; D46-N51 PolarHBondContact N-O 2.88Å; T49-N51 PolarHBondContact O-N 2.95Å; T49-N51 WeakPolarHBondContact OG1-CB 3.5Å; T49-N51 VanDerWaalsContact OG1-CG 3.31Å; T49-N51 PolarHBondContact OG1-N 3.42Å; T49-N51 PolarHBondContact OG1-ND2 2.87Å; T49-N51 VanDerWaalsContact OG1-ND2 3.15Å; N51-Y53 HydrophobicContact CB-CD2 4.11Å; N51-Y53 HydrophobicContact CB-CE1 4.42Å; N51-Y53 HydrophobicContact CB-CE2 3.37Å; N51-Y53 PolarHBondContact ND2-OH 2.81Å; N51-Y53 VanDerWaalsContact ND2-OH 3.1Å; N51-Y53 WeakPolarHBondContact O-CD2 3.09Å; N51-Y53 WeakPolarHBondContact O-CE2 3.33Å | ||
| 52 | L | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.9 | 169 | -173.9 | 70 | 0 | 0 | 0 | 108.6 | I4 V15 I16 V17 I20 L34 F43 L45 L138 | I4-L52 HydrophobicContact CD1-CD2 3.89Å; V15-L52 CarbonylContact C-O 3.57Å; I16-L52 HydrophobicContact CB-CB 4.41Å; I16-L52 HydrophobicContact CB-CD2 4.15Å; I16-L52 HydrophobicContact CB-CG 4.27Å; I16-L52 HydrophobicContact CG1-CG 4.44Å; I16-L52 HydrophobicContact CG2-CD2 4.3Å; I16-L52 PolarHBondContact N-O 2.8Å; V17-L52 HydrophobicContact CB-CB 4.13Å; V17-L52 HydrophobicContact CG2-CD2 4.46Å; V17-L52 PolarHBondContact N-O 3.18Å; V17-L52 PolarHBondContact O-N 3.26Å; I20-L52 HydrophobicContact CD1-CD2 4.48Å; L34-L52 HydrophobicContact CD1-CD1 3.92Å; F43-L52 HydrophobicContact CB-CD1 3.92Å; F43-L52 HydrophobicContact CB-CG 4.3Å; L45-L52 HydrophobicContact CB-CD1 4.35Å; L52-L138 HydrophobicContact CD2-CD2 4.08Å |
| 53 | Y | 87.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.3 | -179.2 | -58 | -98.5 | 0 | 0 | 0 | 111 | T14 V15 F43 R44 D46 N51 | T14-Y53 CarbonylContact O-C 3.58Å; T14-Y53 VanDerWaalsContact O-CA 3.23Å; T14-Y53 WeakPolarHBondContact O-CA 3.32Å; V15-Y53 HydrophobicContact CG2-CD1 3.77Å; V15-Y53 HydrophobicContact CG2-CE1 3.57Å; F43-Y53 CarbonylContact C-O 3.55Å; F43-Y53 VanDerWaalsContact CA-O 3.24Å; F43-Y53 WeakPolarHBondContact CA-O 3.21Å; R44-Y53 PolarHBondContact N-O 2.85Å; R44-Y53 PolarHBondContact O-N 2.93Å; D46-Y53 HydrophobicContact CB-CE2 3.78Å; N51-Y53 HydrophobicContact CB-CD2 4.11Å; N51-Y53 HydrophobicContact CB-CE1 4.42Å; N51-Y53 HydrophobicContact CB-CE2 3.37Å; N51-Y53 PolarHBondContact ND2-OH 2.81Å; N51-Y53 VanDerWaalsContact ND2-OH 3.1Å; N51-Y53 WeakPolarHBondContact O-CD2 3.09Å; N51-Y53 WeakPolarHBondContact O-CE2 3.33Å |
| 54 | S | 87.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142.4 | 160 | -166 | 0 | 0 | 0 | 0 | 111 | G13 T14 F42 S56 | G13-S54 WeakPolarHBondContact CA-O 3.06Å; G13-S54 PolarHBondContact N-O 2.8Å; T14-S54 PolarHBondContact O-N 2.62Å; T14-S54 WeakPolarHBondContact OG1-CB 3.39Å; F42-S54 PolarHBondContact O-OG 3.46Å; S54-S56 PolarHBondContact OG-O 3.38Å |
| 55 | I | 87.4 | Confident | 82.9 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | trans | -117.6 | -2.7 | 173.9 | 53.8 | 167.7 | 0 | 0 | 0 | 113.9 | Q41 F42 R44 | Q41-I55 WeakPolarHBondContact O-CD1 3.44Å; F42-I55 VanDerWaalsContact C-CG1 3.43Å; F42-I55 VanDerWaalsContact O-CG1 3.27Å; F42-I55 WeakPolarHBondContact O-CG1 3.47Å; F42-I55 PolarHBondContact O-N 3.17Å; R44-I55 HydrophobicContact CB-CD1 4.44Å; R44-I55 HydrophobicContact CB-CG2 3.52Å | ||
| 56 | S | 83.6 | Confident | 82.4 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -137.4 | 165.5 | 171.7 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | I12 F42 S54 | I12-S56 VanDerWaalsContact CG1-C 3.45Å; F42-S56 WeakPolarHBondContact CD1-OG 3.45Å; S54-S56 PolarHBondContact OG-O 3.38Å |
| 57 | S | 83.2 | Confident | 82.1 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | trans | -64.8 | 156.2 | 155.3 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | I | 83.5 | Confident | 82 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -114.1 | 157.9 | 163.4 | -58.8 | 178.4 | 0 | 0 | 0 | 106.5 | V6 E8 I10 F42 F43 L65 I142 | V6-I58 HydrophobicContact CG1-CD1 4.2Å; E8-I58 CarbonylContact C-O 3.53Å; E8-I58 HydrophobicContact CB-CG2 4.05Å; E8-I58 CarbonylContact O-C 3.58Å; E8-I58 WeakPolarHBondContact O-CA 3.04Å; E8-I58 VanDerWaalsContact O-CB 3.28Å; E8-I58 WeakPolarHBondContact O-CB 3.49Å; I10-I58 HydrophobicContact CG2-CB 3.98Å; I10-I58 HydrophobicContact CG2-CD1 3.92Å; I10-I58 HydrophobicContact CG2-CG1 3.96Å; F42-I58 HydrophobicContact CB-CD1 4.47Å; F42-I58 HydrophobicContact CD1-CG1 4.28Å; F43-I58 HydrophobicContact CE1-CD1 4.14Å; F43-I58 HydrophobicContact CE2-CD1 4.06Å; F43-I58 HydrophobicContact CZ-CD1 3.44Å; F43-I58 VanDerWaalsContact CZ-CD1 3.44Å; I58-L65 HydrophobicContact CG2-CD1 4.04Å; I58-L65 HydrophobicContact CG2-CD2 3.6Å; I58-L65 HydrophobicContact CG2-CG 4.49Å; I58-I142 HydrophobicContact CD1-CD1 4.27Å; I58-I142 HydrophobicContact CD1-CG1 4.4Å; I58-I142 HydrophobicContact CG2-CD1 4.1Å; I58-I142 HydrophobicContact CG2-CG1 4.2Å; I58-I142 HydrophobicContact CG2-CG2 3.85Å | ||
| 59 | D | 83.3 | Confident | 82 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -177.3 | 127.4 | -167.2 | 168.8 | -51.9 | 0 | 0 | 0 | 103.2 | E61 T62 | D59-E61 PolarHBondContact OD1-N 3.48Å; D59-T62 VanDerWaalsContact CG-CG2 3.5Å; D59-T62 WeakPolarHBondContact OD1-CA 3.4Å; D59-T62 WeakPolarHBondContact OD1-CB 3.43Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.31Å; D59-T62 PolarHBondContact OD1-N 3Å; D59-T62 PolarHBondContact OD1-OG1 2.9Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.2Å | ||
| 60 | L | 82.6 | Confident | 81.7 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -92.3 | -18.7 | -176.9 | -77.5 | 179.2 | 0 | 0 | 0 | 112.3 | E8 L65 C116 I142 D144 F192 | E8-L60 HydrophobicContact CB-CG 4.43Å; E8-L60 VanDerWaalsContact OE2-CD1 3.29Å; E8-L60 WeakPolarHBondContact OE2-CD1 3.32Å; E8-L60 WeakPolarHBondContact OE2-CG 3.2Å; L60-L65 HydrophobicContact CD2-CD2 3.7Å; L60-C116 HydrophobicContact CD2-CB 3.59Å; L60-I142 HydrophobicContact CD1-CG2 4.12Å; L60-I142 HydrophobicContact CD2-CB 4.5Å; L60-I142 HydrophobicContact CD2-CG2 3.87Å; L60-I142 HydrophobicContact CG-CG2 3.91Å; L60-D144 HydrophobicContact CD1-CB 3.97Å; L60-F192 HydrophobicContact CB-CB 4.27Å; L60-F192 HydrophobicContact CB-CD2 4.49Å; L60-F192 HydrophobicContact CB-CG 4.44Å; L60-F192 HydrophobicContact CD1-CB 4.35Å; L60-F192 HydrophobicContact CD1-CD1 4.24Å; L60-F192 HydrophobicContact CD1-CG 4.27Å |
| 61 | E | 78.1 | Confident | 81.3 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -81.3 | -32.6 | -173 | -62.6 | 52.4 | -112.9 | 0 | 0 | 109.8 | D59 | D59-E61 PolarHBondContact OD1-N 3.48Š|
| 62 | T | 76.9 | Confident | 81 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80.7 | 137.4 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 112 | D59 N64 L65 | D59-T62 VanDerWaalsContact CG-CG2 3.5Å; D59-T62 WeakPolarHBondContact OD1-CA 3.4Å; D59-T62 WeakPolarHBondContact OD1-CB 3.43Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.31Å; D59-T62 PolarHBondContact OD1-N 3Å; D59-T62 PolarHBondContact OD1-OG1 2.9Å; D59-T62 WeakPolarHBondContact OD2-CG2 3.2Å; T62-N64 PolarHBondContact O-N 3.42Å; T62-L65 PolarHBondContact O-N 2.77Å |
| 63 | S | 76 | Confident | 80.3 | Confident | 72 Ų | 72 | 56 Ų | 56 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58 | -12.3 | 178.9 | 64.8 | 0 | 0 | 0 | 0 | 115.1 | L65 C66 N67 | S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 2.93Å; S63-C66 PolarHBondContact O-N 3.17Å; S63-N67 WeakPolarHBondContact O-CB 3.06Å; S63-N67 PolarHBondContact O-N 2.97Å; S63-N67 PolarHBondContact O-ND2 2.9Å |
| 64 | N | 76.6 | Confident | 79.2 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.6 | -40.5 | -179.5 | -69.7 | -41 | 0 | 0 | 0 | 112.7 | T62 T68 | T62-N64 PolarHBondContact O-N 3.42Å; N64-T68 WeakPolarHBondContact O-CG2 3.33Å; N64-T68 PolarHBondContact O-OG1 3.03Å |
| 65 | L | 78.5 | Confident | 77.7 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.9 | -48.1 | 178.9 | -110.2 | 70.2 | 0 | 0 | 0 | 112 | F42 I58 L60 T62 S63 N67 T68 E69 C72 I142 | F42-L65 HydrophobicContact CD1-CD1 3.96Å; F42-L65 HydrophobicContact CE1-CD1 3.34Å; F42-L65 HydrophobicContact CE1-CG 4.42Å; F42-L65 HydrophobicContact CZ-CD1 3.78Å; F42-L65 HydrophobicContact CZ-CG 4.46Å; I58-L65 HydrophobicContact CG2-CD1 4.04Å; I58-L65 HydrophobicContact CG2-CD2 3.6Å; I58-L65 HydrophobicContact CG2-CG 4.49Å; L60-L65 HydrophobicContact CD2-CD2 3.7Å; T62-L65 PolarHBondContact O-N 2.77Å; S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 2.93Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 2.9Å; L65-T68 PolarHBondContact O-N 3.32Å; L65-T68 PolarHBondContact O-OG1 3.14Å; L65-E69 PolarHBondContact O-N 3.17Å; L65-C72 HydrophobicContact CB-CB 3.98Å; L65-C72 HydrophobicContact CD2-CB 4.36Å; L65-C72 HydrophobicContact CG-CB 4.45Å; L65-I142 HydrophobicContact CD2-CD1 3.93Å |
| 66 | C | 77.3 | Confident | 75.8 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.5 | -40.4 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | S63 T68 C72 C73 | S63-C66 PolarHBondContact O-N 3.17Å; C66-T68 PolarHBondContact O-N 3.26Å; C66-C72 VanDerWaalsContact CA-O 3.32Å; C66-C72 WeakPolarHBondContact CA-O 3.46Å; C66-C72 WeakPolarHBondContact CB-O 3.39Å; C66-C72 PolarHBondContact N-O 3.34Å; C66-C73 WeakPolarHBondContact CA-SG 3.4Å; C66-C73 HydrophobicContact CB-CB 3.91Å; C66-C73 WeakPolarHBondContact CB-SG 3.24Å; C66-C73 PolarHBondContact O-SG 3.14Å; C66-C73 VanDerWaalsContact SG-CA 3.58Å; C66-C73 WeakPolarHBondContact SG-CB 3.23Å; C66-C73 CovalentContact SG-SG 2.04Å; C66-C73 PolarHBondContact SG-SG 2.83Å |
| 67 | N | 79.7 | Confident | 73.4 | Confident | 122 Ų | 122 | 71.2 Ų | 71.2 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.7 | 178.1 | -74.7 | -28.8 | 0 | 0 | 0 | 114.1 | S63 L65 | S63-N67 WeakPolarHBondContact O-CB 3.06Å; S63-N67 PolarHBondContact O-N 2.97Å; S63-N67 PolarHBondContact O-ND2 2.9Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 2.9Å |
| 68 | T | 75.5 | Confident | 70.9 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -28.8 | -176.5 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | F42 N64 L65 C66 | F42-T68 HydrophobicContact CE2-CG2 4.1Å; F42-T68 VanDerWaalsContact CE2-OG1 3.23Å; F42-T68 WeakPolarHBondContact CE2-OG1 3.44Å; F42-T68 HydrophobicContact CZ-CG2 4.01Å; F42-T68 WeakPolarHBondContact CZ-OG1 3.26Å; N64-T68 WeakPolarHBondContact O-CG2 3.33Å; N64-T68 PolarHBondContact O-OG1 3.03Å; L65-T68 PolarHBondContact O-N 3.32Å; L65-T68 PolarHBondContact O-OG1 3.14Å; C66-T68 PolarHBondContact O-N 3.26Å |
| 69 | E | 78.5 | Confident | 68.3 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | trans | -144.8 | 116.8 | 176.4 | -172.5 | 65.4 | -106.6 | 0 | 0 | 110.8 | S38 L65 S71 C72 L118 | S38-E69 WeakPolarHBondContact CB-OE2 3.24Å; S38-E69 PolarHBondContact OG-OE2 3.01Å; L65-E69 PolarHBondContact O-N 3.17Å; E69-S71 WeakPolarHBondContact CG-OG 3.49Å; E69-S71 PolarHBondContact O-N 3.12Å; E69-C72 WeakPolarHBondContact O-CB 3.48Å; E69-C72 PolarHBondContact O-N 2.78Å; E69-L118 HydrophobicContact CB-CD2 3.7Å; E69-L118 HydrophobicContact CG-CD2 4.01Å | ||
| 70 | R | 78.9 | Confident | 65.7 | Low | 229 Ų | 229 | 91.7 Ų | 91.7 | 86% | 0.864 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -63.2 | -16.3 | -174.4 | -82 | -173.1 | 175.4 | -176.6 | -2.1 | 114.9 | C72 | R70-C72 PolarHBondContact O-N 2.92Š|
| 71 | S | 76 | Confident | 63.1 | Low | 46 Ų | 46 | 97.8 Ų | 97.8 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -71.3 | -9.3 | 172.1 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | E69 C116 R117 | E69-S71 WeakPolarHBondContact CG-OG 3.49Å; E69-S71 PolarHBondContact O-N 3.12Å; S71-C116 WeakPolarHBondContact O-CA 3.39Å; S71-R117 PolarHBondContact OG-N 2.91Å; S71-R117 PolarHBondContact OG-O 2.96Å |
| 72 | C | 81.1 | Confident | 60.6 | Low | 0 Ų | 0 | 100.4 Ų | 100.4 | 0% | 0 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -112.2 | 29 | -177.9 | -46 | 0 | 0 | 0 | 0 | 111.5 | L65 C66 E69 R70 C116 | L65-C72 HydrophobicContact CB-CB 3.98Å; L65-C72 HydrophobicContact CD2-CB 4.36Å; L65-C72 HydrophobicContact CG-CB 4.45Å; C66-C72 VanDerWaalsContact CA-O 3.32Å; C66-C72 WeakPolarHBondContact CA-O 3.46Å; C66-C72 WeakPolarHBondContact CB-O 3.39Å; C66-C72 PolarHBondContact N-O 3.34Å; E69-C72 WeakPolarHBondContact O-CB 3.48Å; E69-C72 PolarHBondContact O-N 2.78Å; R70-C72 PolarHBondContact O-N 2.92Å; C72-C116 HydrophobicContact CB-CB 3.68Å; C72-C116 WeakPolarHBondContact CB-SG 3.34Å; C72-C116 WeakPolarHBondContact SG-CA 3.41Å; C72-C116 WeakPolarHBondContact SG-CB 3.05Å; C72-C116 CovalentContact SG-SG 2.03Å; C72-C116 PolarHBondContact SG-SG 3.34Å |
| 73 | C | 75.3 | Confident | 58.3 | Low | 34 Ų | 34 | 105.2 Ų | 105.2 | 23% | 0.23 | 54% | 0.536 | C | S | . | . | trans | -110.3 | 129.3 | 176.8 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | C66 | C66-C73 WeakPolarHBondContact CA-SG 3.4Å; C66-C73 HydrophobicContact CB-CB 3.91Å; C66-C73 WeakPolarHBondContact CB-SG 3.24Å; C66-C73 PolarHBondContact O-SG 3.14Å; C66-C73 VanDerWaalsContact SG-CA 3.58Å; C66-C73 WeakPolarHBondContact SG-CB 3.23Å; C66-C73 CovalentContact SG-SG 2.04Å; C66-C73 PolarHBondContact SG-SG 2.83Å | ||
| 74 | P | 63.8 | Low | 56.1 | Low | 67 Ų | 67 | 110.4 Ų | 110.4 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | trans | -73.6 | 128.9 | 174.7 | 29.8 | -34.1 | 0 | 0 | 0 | 111.3 | H76 F192 | P74-H76 PolarHBondContact O-N 2.84Å; P74-F192 HydrophobicContact CB-CD2 4.23Å; P74-F192 HydrophobicContact CB-CE2 4.23Å | ||
| 75 | N | 56.1 | Low | 53.6 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 65% | 0.647 | 57% | 0.568 | S | S | * | * | trans | -80.6 | 72.6 | -177.8 | -90.1 | -27.6 | 0 | 0 | 0 | 112.7 | Q77 | N75-Q77 PolarHBondContact O-N 2.95Å; N75-Q77 VanDerWaalsContact O-N 3.16Å | ||
| 76 | H | 46.8 | Very low | 51.1 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | trans | -79.5 | 88.3 | 167.2 | -80 | -113.2 | 0 | 0 | 0 | 110.6 | P74 | P74-H76 PolarHBondContact O-N 2.84Š| ||
| 77 | Q | 33.3 | Very low | 48.7 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | trans | -110.1 | 28.4 | 173.7 | -72.2 | -159.3 | -48.3 | 0 | 0 | 113.5 | N75 | N75-Q77 PolarHBondContact O-N 2.95Å; N75-Q77 VanDerWaalsContact O-N 3.16Å | ||
| 78 | Y | 31.1 | Very low | 46.2 | Very low | 230 Ų | 230 | 125.6 Ų | 125.6 | 90% | 0.902 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -130.4 | 48.8 | -175.5 | -109.3 | -87.5 | 0 | 0 | 0 | 112.8 | ||
| 79 | E | 29.9 | Very low | 43.9 | Very low | 148 Ų | 148 | 129 Ų | 129 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -151.2 | 22.8 | -173.8 | -139.1 | 163.7 | -129.9 | 0 | 0 | 115.4 | ||
| 80 | Q | 28.2 | Very low | 41.4 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -130.6 | 17.9 | -172.9 | -70.9 | -164.3 | -20.7 | 0 | 0 | 116.5 | ||
| 81 | V | 27.9 | Very low | 39 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -123.1 | -16.4 | -171.5 | -172.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 82 | T | 26.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -101.3 | -13.8 | -176.4 | 38 | 0 | 0 | 0 | 0 | 115.6 | Q84 | T82-Q84 PolarHBondContact O-N 2.78Š|
| 83 | N | 28 | Very low | 34.2 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.8 | 43.9 | 176.7 | -69.8 | -9 | 0 | 0 | 0 | 113 | ||
| 84 | Q | 28.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -145.7 | 42.8 | 178.4 | -72.5 | -158.1 | -39.1 | 0 | 0 | 112.9 | T82 | T82-Q84 PolarHBondContact O-N 2.78Š|
| 85 | L | 25.5 | Very low | 30.2 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -143.5 | 23.2 | 171.1 | -115.5 | 159.4 | 0 | 0 | 0 | 114.7 | ||
| 86 | D | 25.3 | Very low | 28.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -109.4 | 144.7 | 169.7 | -92.3 | -57.5 | 0 | 0 | 0 | 112 | ||
| 87 | T | 26.6 | Very low | 27.8 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 59.9 | 78.3 | 172.5 | 63.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 88 | T | 27.2 | Very low | 27.4 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -159.4 | 110.2 | 141.7 | 2.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 89 | T | 27.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 25.7 | 123 | 137.1 | 60.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 90 | N | 27.2 | Very low | 26.9 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 62.1 | 150.9 | 135.4 | -66.5 | 14.6 | 0 | 0 | 0 | 122.3 | ||||
| 91 | D | 27.9 | Very low | 27 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | 70.8 | 92.8 | 149.9 | -67 | -34.9 | 0 | 0 | 0 | 120.8 | ||||
| 92 | N | 27.9 | Very low | 27 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 79.4 | 147.3 | 135.1 | -58.9 | -63.3 | 0 | 0 | 0 | 121 | ||||
| 93 | N | 28.7 | Very low | 27 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 74.5 | 101.7 | 160.3 | -57.2 | -45.5 | 0 | 0 | 0 | 119.4 | ||||
| 94 | N | 26.9 | Very low | 26.8 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | 46.3 | 133.8 | 119 | -65.8 | -12.4 | 0 | 0 | 0 | 121.6 | |||||
| 95 | N | 27.8 | Very low | 26.6 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 87.3 | 109.8 | 153.3 | -54.6 | -21.4 | 0 | 0 | 0 | 118.2 | ||||
| 96 | Q | 24.3 | Very low | 26.8 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 21.7 | 116.5 | 125.3 | -57.4 | 173.9 | -57.7 | 0 | 0 | 117.3 | |||||
| 97 | Y | 26.8 | Very low | 27 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | -158.6 | 124.7 | 127 | -94.8 | -61.5 | 0 | 0 | 0 | 111.1 | |||||
| 98 | S | 25.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 124.8 | 169.4 | 38.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | I | 26 | Very low | 27.4 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 130.9 | -169.9 | -69.8 | -179.1 | 0 | 0 | 0 | 107.3 | ||||
| 100 | N | 25.9 | Very low | 27.9 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | cis | -157.3 | 169 | -14.2 | -125.2 | -25.8 | 0 | 0 | 0 | 111.6 | ||||
| 101 | Q | 29 | Very low | 28.4 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | 4.4 | 118.4 | 144.3 | -59.9 | 162 | -15.2 | 0 | 0 | 117.9 | ||||
| 102 | L | 28.8 | Very low | 29.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -155 | 108 | 131.2 | -109.8 | 160.4 | 0 | 0 | 0 | 108.8 | ||||
| 103 | N | 26.4 | Very low | 30.2 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -94.4 | 154.5 | -165.8 | -126.6 | -2.3 | 0 | 0 | 0 | 111.8 | ||||
| 104 | Y | 22.8 | Very low | 31.7 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 13.8 | 142 | 144.3 | -85.1 | -101.5 | 0 | 0 | 0 | 121 | ||||
| 105 | H | 25.9 | Very low | 33.5 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | 82.7 | 93.9 | 165.4 | -54.2 | -69.4 | 0 | 0 | 0 | 118.5 | ||||
| 106 | S | 28.8 | Very low | 36 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | -156.2 | 79.2 | 121.5 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 107 | E | 30.7 | Very low | 38.7 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 170 | 148.8 | -68.1 | 175.2 | 128.7 | 0 | 0 | 108.9 | L109 | E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.1Å |
| 108 | D | 29.7 | Very low | 41.4 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 93% | 0.925 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | -8.8 | -176.6 | -66.9 | -23.7 | 0 | 0 | 0 | 119.2 | S110 | D108-S110 VanDerWaalsContact C-N 3.3Å; D108-S110 PolarHBondContact O-N 3.15Å |
| 109 | L | 30.6 | Very low | 44 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | trans | -78.8 | 74.4 | -178.5 | -150.1 | 80.7 | 0 | 0 | 0 | 115.3 | E107 | E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.1Å | ||
| 110 | S | 38.5 | Very low | 46.7 | Very low | 54 Ų | 54 | 110.1 Ų | 110.1 | 38% | 0.378 | 56% | 0.56 | S | S | . | * | trans | 75.4 | 107.5 | 153.1 | 75.5 | 0 | 0 | 0 | 0 | 119.2 | D108 N112 | D108-S110 VanDerWaalsContact C-N 3.3Å; D108-S110 PolarHBondContact O-N 3.15Å; S110-N112 PolarHBondContact O-N 2.56Å | ||
| 111 | N | 38.4 | Very low | 49.5 | Very low | 163 Ų | 163 | 109.6 Ų | 109.6 | 87% | 0.872 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 29.6 | 164.4 | -66.5 | -50 | 0 | 0 | 0 | 114.3 | ||
| 112 | N | 43.2 | Very low | 52.1 | Low | 137 Ų | 137 | 101.8 Ų | 101.8 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -6.1 | -170.1 | -74.6 | -29.2 | 0 | 0 | 0 | 114.5 | S110 | S110-N112 PolarHBondContact O-N 2.56Š|
| 113 | L | 50.5 | Low | 54.6 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -83.2 | -22.7 | -178.1 | -88.8 | 143.7 | 0 | 0 | 0 | 114.1 | Q115 | L113-Q115 PolarHBondContact O-N 3.08Š|
| 114 | N | 59.4 | Low | 57.1 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -102.8 | 43.6 | -169.3 | -57.3 | 19.3 | 0 | 0 | 0 | 112.6 | ||
| 115 | Q | 64.5 | Low | 59.5 | Low | 101 Ų | 101 | 80.4 Ų | 80.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | trans | -142.5 | 100.5 | 178.3 | -67.9 | -170.2 | 28.3 | 0 | 0 | 113 | L113 R117 H141 | L113-Q115 PolarHBondContact O-N 3.08Å; Q115-R117 PolarHBondContact O-N 3.03Å; Q115-H141 PolarHBondContact OE1-CE1 2.68Å; Q115-H141 PolarHBondContact OE1-ND1 2.77Å | ||
| 116 | C | 79.6 | Confident | 61.2 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | trans | -61.2 | 124.3 | 166.1 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L60 S71 C72 H141 I142 | L60-C116 HydrophobicContact CD2-CB 3.59Å; S71-C116 WeakPolarHBondContact O-CA 3.39Å; C72-C116 HydrophobicContact CB-CB 3.68Å; C72-C116 WeakPolarHBondContact CB-SG 3.34Å; C72-C116 WeakPolarHBondContact SG-CA 3.41Å; C72-C116 WeakPolarHBondContact SG-CB 3.05Å; C72-C116 CovalentContact SG-SG 2.03Å; C72-C116 PolarHBondContact SG-SG 3.34Å; C116-H141 WeakPolarHBondContact O-CA 3.26Å; C116-I142 HydrophobicContact CB-CB 4.24Å; C116-I142 PolarHBondContact O-N 3.31Å; C116-I142 VanDerWaalsContact SG-CD1 3.53Å | ||
| 117 | R | 82.1 | Confident | 62.6 | Low | 89 Ų | 89 | 77.7 Ų | 77.7 | 34% | 0.336 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 101.3 | -168.9 | -166.7 | -173.7 | -162.1 | -169.6 | 12 | 113.5 | E3 S71 Q115 T119 H139 V140 H141 | E3-R117 IonicContact OE1-CZ 3.06Å; E3-R117 IonicContact OE1-NH2 2.7Å; E3-R117 PolarHBondContact OE1-NH2 3.12Å; S71-R117 PolarHBondContact OG-N 2.91Å; S71-R117 PolarHBondContact OG-O 2.96Å; Q115-R117 PolarHBondContact O-N 3.03Å; R117-T119 HydrophobicContact CG-CG2 4.41Å; R117-H139 VanDerWaalsContact CZ-ND1 3.34Å; R117-H139 PolarHBondContact NE-ND1 2.78Å; R117-V140 CarbonylContact C-O 3.54Å; R117-V140 WeakPolarHBondContact CA-O 3.32Å; R117-H141 PolarHBondContact NE-CE1 3.48Å; R117-H141 PolarHBondContact NE-NE2 3.35Å |
| 118 | L | 84.3 | Confident | 63.8 | Low | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143 | 174.3 | -63.5 | 168.1 | 0 | 0 | 0 | 111 | L39 F42 F43 E69 V140 I142 | L39-L118 HydrophobicContact CB-CB 4.13Å; L39-L118 HydrophobicContact CD1-CB 4.19Å; L39-L118 HydrophobicContact CG-CB 4.21Å; F42-L118 HydrophobicContact CB-CD1 4.36Å; F42-L118 HydrophobicContact CD2-CD1 3.99Å; F42-L118 HydrophobicContact CD2-CD2 4.39Å; F42-L118 HydrophobicContact CG-CD1 4.25Å; F43-L118 HydrophobicContact CE2-CD1 3.9Å; E69-L118 HydrophobicContact CB-CD2 3.7Å; E69-L118 HydrophobicContact CG-CD2 4.01Å; L118-V140 HydrophobicContact CB-CB 4.42Å; L118-V140 PolarHBondContact N-O 2.03Å; L118-V140 PolarHBondContact O-N 3.35Å; L118-I142 HydrophobicContact CD1-CD1 3.68Å; L118-I142 HydrophobicContact CG-CD1 4.19Å |
| 119 | T | 80 | Confident | 64.7 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.3 | -179.1 | 86 | 0 | 0 | 0 | 0 | 113.8 | R117 L138 H139 | R117-T119 HydrophobicContact CG-CG2 4.41Å; T119-L138 WeakPolarHBondContact CA-O 3.25Å; T119-H139 VanDerWaalsContact CG2-ND1 3.35Å; T119-H139 WeakPolarHBondContact CG2-ND1 3.17Å |
| 120 | T | 82.1 | Confident | 65.8 | Low | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.018 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 170.4 | 173.2 | -162.2 | 0 | 0 | 0 | 0 | 112.8 | L34 S35 S37 L39 K137 L138 | L34-T120 HydrophobicContact CB-CG2 4.46Å; L34-T120 HydrophobicContact CD2-CG2 3.91Å; S35-T120 PolarHBondContact O-OG1 2.97Å; S35-T120 PolarHBondContact OG-OG1 3.15Å; S37-T120 VanDerWaalsContact CB-OG1 3.31Å; S37-T120 WeakPolarHBondContact CB-OG1 3.41Å; S37-T120 WeakPolarHBondContact OG-CB 3.23Å; S37-T120 PolarHBondContact OG-OG1 3.15Å; L39-T120 HydrophobicContact CB-CG2 4.22Å; L39-T120 HydrophobicContact CD1-CG2 4.05Å; L39-T120 HydrophobicContact CD2-CG2 3.84Å; L39-T120 HydrophobicContact CG-CG2 4.27Å; T120-K137 WeakPolarHBondContact O-CA 3.32Å; T120-K137 WeakPolarHBondContact O-CG 3.42Å; T120-L138 HydrophobicContact CG2-CB 4.02Å; T120-L138 HydrophobicContact CG2-CD2 4.11Å; T120-L138 PolarHBondContact N-O 3.06Å; T120-L138 PolarHBondContact O-N 2.98Å |
| 121 | F | 84.2 | Confident | 66.8 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 150.7 | 167.1 | -60.6 | -86.9 | 0 | 0 | 0 | 111.6 | S35 P134 A136 K137 | S35-F121 PolarHBondContact N-O 3.12Å; S35-F121 WeakPolarHBondContact OG-CA 3.4Å; S35-F121 WeakPolarHBondContact OG-CB 3.4Å; S35-F121 PolarHBondContact OG-N 2.67Å; S35-F121 PolarHBondContact OG-O 2.97Å; F121-P134 HydrophobicContact CB-CB 4.43Å; F121-A136 CarbonylContact C-O 3.58Å; F121-A136 VanDerWaalsContact CA-O 3.29Å; F121-A136 WeakPolarHBondContact CA-O 3.5Å; F121-K137 HydrophobicContact CD1-CB 4.06Å; F121-K137 HydrophobicContact CD1-CG 4.24Å; F121-K137 HydrophobicContact CE1-CB 4.08Å; F121-K137 HydrophobicContact CE1-CD 4.12Å; F121-K137 HydrophobicContact CE1-CG 4.11Å; F121-K137 HydrophobicContact CZ-CD 4.26Å |
| 122 | I | 83.7 | Confident | 68.1 | Low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.2 | 171 | -50.8 | -178 | 0 | 0 | 0 | 107 | I20 I24 I32 L34 L45 I135 A136 L138 | I20-I122 HydrophobicContact CD1-CD1 3.63Å; I20-I122 HydrophobicContact CG1-CD1 4.08Å; I24-I122 HydrophobicContact CD1-CB 4.42Å; I24-I122 HydrophobicContact CD1-CD1 3.53Å; I24-I122 HydrophobicContact CD1-CG2 3.99Å; I24-I122 HydrophobicContact CG1-CD1 4.14Å; I32-I122 HydrophobicContact CG2-CG2 4.46Å; L34-I122 HydrophobicContact CD2-CG1 4.03Å; L45-I122 HydrophobicContact CD2-CG2 4.39Å; I122-I135 HydrophobicContact CB-CG1 4.49Å; I122-I135 HydrophobicContact CG2-CD1 4.45Å; I122-I135 HydrophobicContact CG2-CG1 4.48Å; I122-I135 WeakPolarHBondContact O-CG1 3.26Å; I122-I135 PolarHBondContact O-N 2.98Å; I122-A136 HydrophobicContact CB-CB 4.34Å; I122-A136 HydrophobicContact CD1-CB 4.48Å; I122-A136 PolarHBondContact N-O 3.22Å; I122-L138 HydrophobicContact CD1-CB 4.27Å; I122-L138 HydrophobicContact CD1-CD1 4.41Å; I122-L138 HydrophobicContact CD1-CD2 4.39Å; I122-L138 HydrophobicContact CG1-CB 4.31Å |
| 123 | L | 80.8 | Confident | 69.6 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.9 | -177.5 | -56.5 | 178.8 | 0 | 0 | 0 | 109.5 | I32 K33 I132 S133 P134 | I32-L123 CarbonylContact C-O 3.53Å; I32-L123 WeakPolarHBondContact CA-O 3.48Å; K33-L123 PolarHBondContact N-O 3.03Å; K33-L123 WeakPolarHBondContact O-CB 3.42Å; K33-L123 PolarHBondContact O-N 3.34Å; L123-I132 HydrophobicContact CB-CG2 3.75Å; L123-S133 CarbonylContact C-O 3.55Å; L123-S133 WeakPolarHBondContact CA-O 3.07Å; L123-P134 HydrophobicContact CD2-CB 3.87Å |
| 124 | A | 80 | Confident | 71 | Confident | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 157.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T30 Y31 I32 I132 S133 I135 | T30-A124 HydrophobicContact CG2-CB 3.74Å; Y31-A124 WeakPolarHBondContact O-CA 3.29Å; Y31-A124 WeakPolarHBondContact O-CB 3.37Å; I32-A124 HydrophobicContact CG2-CB 4.25Å; A124-I132 WeakPolarHBondContact O-CA 3.21Å; A124-I132 WeakPolarHBondContact O-CG2 3.35Å; A124-S133 PolarHBondContact N-O 2.82Å; A124-S133 PolarHBondContact O-N 3.29Å; A124-I135 HydrophobicContact CB-CD1 3.56Å; A124-I135 HydrophobicContact CB-CG1 3.88Å; A124-I135 HydrophobicContact CB-CG2 3.97Å |
| 125 | S | 71.6 | Confident | 72 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.7 | 165.8 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | T30 Y31 D127 Q131 | T30-S125 WeakPolarHBondContact CG2-O 3.27Å; Y31-S125 PolarHBondContact N-O 3.43Å; Y31-S125 PolarHBondContact O-N 3.27Å; Y31-S125 VanDerWaalsContact O-N 3.17Å; S125-D127 PolarHBondContact OG-O 2.76Å; S125-D127 VanDerWaalsContact OG-O 3.06Å; S125-Q131 PolarHBondContact OG-O 3.27Å |
| 126 | A | 63.6 | Low | 72.7 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 63% | 0.628 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -88.9 | -36.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 127 | D | 57.8 | Low | 72.8 | Confident | 131 Ų | 131 | 75.8 Ų | 75.8 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -141.3 | 179.3 | -179.9 | -83.2 | -66.6 | 0 | 0 | 0 | 109.2 | S125 E129 | S125-D127 PolarHBondContact OG-O 2.76Å; S125-D127 VanDerWaalsContact OG-O 3.06Å; D127-E129 PolarHBondContact O-N 3.08Å |
| 128 | N | 55.4 | Low | 72.8 | Confident | 180 Ų | 180 | 71.5 Ų | 71.5 | 96% | 0.963 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -68 | 17.4 | -179.2 | -85.8 | -20.7 | 0 | 0 | 0 | 115.2 | ||
| 129 | E | 48.4 | Very low | 72.7 | Confident | 160 Ų | 160 | 71.9 Ų | 71.9 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -81.6 | 156 | 173.4 | -62.8 | -160.9 | 157.1 | 0 | 0 | 112.3 | D127 Q131 | D127-E129 PolarHBondContact O-N 3.08Å; E129-Q131 VanDerWaalsContact C-N 3.29Å; E129-Q131 PolarHBondContact O-N 2.9Å |
| 130 | I | 53.9 | Low | 73 | Confident | 173 Ų | 173 | 70 Ų | 70 | 89% | 0.887 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -80.2 | -4.2 | -158.4 | -64.5 | 168.4 | 0 | 0 | 0 | 113.4 | ||
| 131 | Q | 59.1 | Low | 73.2 | Confident | 176 Ų | 176 | 70.8 Ų | 70.8 | 82% | 0.822 | 38% | 0.381 | S | S | * | . | trans | -91.7 | 114.3 | 179.9 | -69.6 | -167.6 | -8.7 | 0 | 0 | 112.7 | S125 E129 | S125-Q131 PolarHBondContact OG-O 3.27Å; E129-Q131 VanDerWaalsContact C-N 3.29Å; E129-Q131 PolarHBondContact O-N 2.9Å | ||
| 132 | I | 66 | Low | 73.2 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | trans | -105.2 | 133.5 | 172.3 | -49.7 | 177.6 | 0 | 0 | 0 | 108.6 | L123 A124 | L123-I132 HydrophobicContact CB-CG2 3.75Å; A124-I132 WeakPolarHBondContact O-CA 3.21Å; A124-I132 WeakPolarHBondContact O-CG2 3.35Å | ||
| 133 | S | 74.6 | Confident | 73.2 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.5 | -178.1 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | L123 A124 | L123-S133 CarbonylContact C-O 3.55Å; L123-S133 WeakPolarHBondContact CA-O 3.07Å; A124-S133 PolarHBondContact N-O 2.82Å; A124-S133 PolarHBondContact O-N 3.29Å |
| 134 | P | 80.6 | Confident | 73.3 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.6 | 174 | 29.9 | -33.2 | 0 | 0 | 0 | 111.4 | F121 L123 | F121-P134 HydrophobicContact CB-CB 4.43Å; L123-P134 HydrophobicContact CD2-CB 3.87Å |
| 135 | I | 80.6 | Confident | 73.4 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 35% | 0.349 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -23.1 | -174.7 | 53.4 | 156.8 | 0 | 0 | 0 | 114.4 | I24 I26 I122 A124 | I24-I135 HydrophobicContact CG2-CD1 4.3Å; I26-I135 HydrophobicContact CD1-CD1 3.56Å; I26-I135 HydrophobicContact CG2-CD1 4.19Å; I122-I135 HydrophobicContact CB-CG1 4.49Å; I122-I135 HydrophobicContact CG2-CD1 4.45Å; I122-I135 HydrophobicContact CG2-CG1 4.48Å; I122-I135 WeakPolarHBondContact O-CG1 3.26Å; I122-I135 PolarHBondContact O-N 2.98Å; A124-I135 HydrophobicContact CB-CD1 3.56Å; A124-I135 HydrophobicContact CB-CG1 3.88Å; A124-I135 HydrophobicContact CB-CG2 3.97Å |
| 136 | A | 78 | Confident | 74 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 17% | 0.174 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I24 F121 I122 | I24-A136 HydrophobicContact CG1-CB 4.32Å; I24-A136 HydrophobicContact CG2-CB 3.9Å; F121-A136 CarbonylContact C-O 3.58Å; F121-A136 VanDerWaalsContact CA-O 3.29Å; F121-A136 WeakPolarHBondContact CA-O 3.5Å; I122-A136 HydrophobicContact CB-CB 4.34Å; I122-A136 HydrophobicContact CD1-CB 4.48Å; I122-A136 PolarHBondContact N-O 3.22Å |
| 137 | K | 81.2 | Confident | 75 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 27% | 0.274 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132 | 167.3 | -167.1 | 177.5 | 178.5 | 179.3 | 0 | 110.5 | S2 T120 F121 H139 | S2-K137 PolarHBondContact N-O 2.77Å; T120-K137 WeakPolarHBondContact O-CA 3.32Å; T120-K137 WeakPolarHBondContact O-CG 3.42Å; F121-K137 HydrophobicContact CD1-CB 4.06Å; F121-K137 HydrophobicContact CD1-CG 4.24Å; F121-K137 HydrophobicContact CE1-CB 4.08Å; F121-K137 HydrophobicContact CE1-CD 4.12Å; F121-K137 HydrophobicContact CE1-CG 4.11Å; F121-K137 HydrophobicContact CZ-CD 4.26Å; K137-H139 WeakPolarHBondContact CD-NE2 3.37Å; K137-H139 VanDerWaalsContact CE-NE2 3.33Å; K137-H139 WeakPolarHBondContact CE-NE2 3.26Å |
| 138 | L | 82.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.7 | -177.8 | -170.6 | 65.4 | 0 | 0 | 0 | 109.8 | I4 I20 L34 L39 L52 T119 T120 I122 | I4-L138 HydrophobicContact CD1-CD1 3.63Å; I4-L138 HydrophobicContact CD1-CG 4.32Å; I4-L138 HydrophobicContact CG1-CD1 4.39Å; I20-L138 HydrophobicContact CD1-CD1 3.99Å; I20-L138 HydrophobicContact CD1-CD2 3.99Å; L34-L138 HydrophobicContact CD2-CD2 4.28Å; L39-L138 HydrophobicContact CD1-CD2 4.32Å; L39-L138 HydrophobicContact CD1-CG 4.43Å; L39-L138 HydrophobicContact CD2-CD2 4.23Å; L52-L138 HydrophobicContact CD2-CD2 4.08Å; T119-L138 WeakPolarHBondContact CA-O 3.25Å; T120-L138 HydrophobicContact CG2-CB 4.02Å; T120-L138 HydrophobicContact CG2-CD2 4.11Å; T120-L138 PolarHBondContact N-O 3.06Å; T120-L138 PolarHBondContact O-N 2.98Å; I122-L138 HydrophobicContact CD1-CB 4.27Å; I122-L138 HydrophobicContact CD1-CD1 4.41Å; I122-L138 HydrophobicContact CD1-CD2 4.39Å; I122-L138 HydrophobicContact CG1-CB 4.31Å |
| 139 | H | 82.9 | Confident | 77.7 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.8 | 178.6 | -75.8 | -100.3 | 0 | 0 | 0 | 109.3 | S2 E3 I4 R117 T119 K137 | S2-H139 PolarHBondContact O-N 3.06Å; E3-H139 CarbonylContact C-O 3.52Å; E3-H139 WeakPolarHBondContact CA-O 3.39Å; E3-H139 HydrophobicContact CG-CB 3.98Å; I4-H139 PolarHBondContact N-O 3.33Å; R117-H139 VanDerWaalsContact CZ-ND1 3.34Å; R117-H139 PolarHBondContact NE-ND1 2.78Å; T119-H139 VanDerWaalsContact CG2-ND1 3.35Å; T119-H139 WeakPolarHBondContact CG2-ND1 3.17Å; K137-H139 WeakPolarHBondContact CD-NE2 3.37Å; K137-H139 VanDerWaalsContact CE-NE2 3.33Å; K137-H139 WeakPolarHBondContact CE-NE2 3.26Å |
| 140 | V | 86.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.2 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 107.9 | I4 V6 L39 F43 R117 L118 I142 | I4-V140 HydrophobicContact CB-CG2 4.02Å; I4-V140 HydrophobicContact CD1-CG2 4.19Å; I4-V140 HydrophobicContact CG2-CG2 4.24Å; I4-V140 WeakPolarHBondContact O-CA 3.29Å; V6-V140 HydrophobicContact CB-CG1 4.18Å; V6-V140 HydrophobicContact CG2-CG1 3.78Å; L39-V140 HydrophobicContact CD1-CB 4.14Å; L39-V140 HydrophobicContact CD1-CG2 3.73Å; L39-V140 HydrophobicContact CG-CG2 4.43Å; F43-V140 HydrophobicContact CE2-CB 4.35Å; F43-V140 HydrophobicContact CE2-CG1 3.89Å; F43-V140 HydrophobicContact CE2-CG2 4.31Å; F43-V140 HydrophobicContact CZ-CG1 3.86Å; R117-V140 CarbonylContact C-O 3.54Å; R117-V140 WeakPolarHBondContact CA-O 3.32Å; L118-V140 HydrophobicContact CB-CB 4.42Å; L118-V140 PolarHBondContact N-O 2.03Å; L118-V140 PolarHBondContact O-N 3.35Å; V140-I142 HydrophobicContact CG1-CG1 4.42Å |
| 141 | H | 85.1 | Confident | 81.1 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.2 | 172.4 | -67.7 | -122.1 | 0 | 0 | 0 | 108.3 | E3 I4 K5 V6 Q115 C116 R117 | E3-H141 IonicContact OE1-NE2 2.68Å; I4-H141 PolarHBondContact O-N 3.03Å; K5-H141 WeakPolarHBondContact CA-O 3.14Å; V6-H141 PolarHBondContact N-O 2.99Å; Q115-H141 PolarHBondContact OE1-CE1 2.68Å; Q115-H141 PolarHBondContact OE1-ND1 2.77Å; C116-H141 WeakPolarHBondContact O-CA 3.26Å; R117-H141 PolarHBondContact NE-CE1 3.48Å; R117-H141 PolarHBondContact NE-NE2 3.35Å |
| 142 | I | 85.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.7 | 177 | -67.6 | 140.7 | 0 | 0 | 0 | 109.3 | V6 E8 I58 L60 L65 C116 L118 V140 | V6-I142 HydrophobicContact CB-CG1 4.39Å; V6-I142 HydrophobicContact CG1-CG1 4.43Å; V6-I142 CarbonylContact O-C 3.57Å; V6-I142 VanDerWaalsContact O-CA 3.26Å; V6-I142 WeakPolarHBondContact O-CA 3.17Å; E8-I142 HydrophobicContact CB-CG2 4.04Å; I58-I142 HydrophobicContact CD1-CD1 4.27Å; I58-I142 HydrophobicContact CD1-CG1 4.4Å; I58-I142 HydrophobicContact CG2-CD1 4.1Å; I58-I142 HydrophobicContact CG2-CG1 4.2Å; I58-I142 HydrophobicContact CG2-CG2 3.85Å; L60-I142 HydrophobicContact CD1-CG2 4.12Å; L60-I142 HydrophobicContact CD2-CB 4.5Å; L60-I142 HydrophobicContact CD2-CG2 3.87Å; L60-I142 HydrophobicContact CG-CG2 3.91Å; L65-I142 HydrophobicContact CD2-CD1 3.93Å; C116-I142 HydrophobicContact CB-CB 4.24Å; C116-I142 PolarHBondContact O-N 3.31Å; C116-I142 VanDerWaalsContact SG-CD1 3.53Å; L118-I142 HydrophobicContact CD1-CD1 3.68Å; L118-I142 HydrophobicContact CG-CD1 4.19Å; V140-I142 HydrophobicContact CG1-CG1 4.42Å |
| 143 | I | 83 | Confident | 82.5 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.3 | -172.1 | -59.8 | 173.3 | 0 | 0 | 0 | 109 | K5 V6 Y7 E8 | K5-I143 HydrophobicContact CB-CD1 3.93Å; K5-I143 HydrophobicContact CD-CD1 4.01Å; K5-I143 HydrophobicContact CG-CD1 4.14Å; V6-I143 PolarHBondContact O-N 3.4Å; Y7-I143 WeakPolarHBondContact CA-O 3.28Å; Y7-I143 HydrophobicContact CD1-CB 3.79Å; Y7-I143 HydrophobicContact CD1-CD1 4.33Å; Y7-I143 HydrophobicContact CD1-CG2 3.73Å; Y7-I143 HydrophobicContact CE1-CB 4.17Å; Y7-I143 HydrophobicContact CE1-CD1 3.99Å; Y7-I143 HydrophobicContact CE1-CG2 3.84Å; E8-I143 PolarHBondContact N-O 2.7Å; E8-I143 VanDerWaalsContact N-O 3.14Å |
| 144 | D | 83.3 | Confident | 81.8 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | trans | -56.2 | 138.9 | 167.3 | 163.8 | 118.7 | 0 | 0 | 0 | 112.6 | E8 L60 F192 S193 N196 | E8-D144 VanDerWaalsContact OE2-CA 3.26Å; E8-D144 WeakPolarHBondContact OE2-CA 3.37Å; L60-D144 HydrophobicContact CD1-CB 3.97Å; D144-F192 WeakPolarHBondContact OD1-CA 3.26Å; D144-F192 WeakPolarHBondContact OD1-CB 3.48Å; D144-F192 PolarHBondContact OD1-N 3.36Å; D144-F192 VanDerWaalsContact OD1-N 3.08Å; D144-S193 WeakPolarHBondContact OD1-CB 3.16Å; D144-S193 PolarHBondContact OD1-N 2.74Å; D144-S193 WeakPolarHBondContact OD2-CB 3.38Å; D144-N196 PolarHBondContact OD2-ND2 3.41Å | ||
| 145 | L | 82.4 | Confident | 80.5 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -115.5 | 146.7 | 171.3 | -59.7 | 170.5 | 0 | 0 | 0 | 109.1 | Y7 E8 N9 D147 | Y7-L145 HydrophobicContact CD1-CD2 3.94Å; E8-L145 WeakPolarHBondContact OE1-CB 3.47Å; E8-L145 WeakPolarHBondContact OE1-CG 3.44Å; E8-L145 PolarHBondContact OE1-N 2.87Å; N9-L145 HydrophobicContact CB-CD1 3.91Å; N9-L145 WeakPolarHBondContact ND2-CD1 3.47Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.93Å | ||
| 146 | N | 83.8 | Confident | 78.8 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | trans | -82.4 | 75.3 | 179.1 | -166.2 | 127.7 | 0 | 0 | 0 | 110.4 | D191 N196 D282 G284 L286 | N146-D191 WeakPolarHBondContact CA-OD2 3.49Å; N146-N196 WeakPolarHBondContact CA-ND2 3.41Å; N146-N196 WeakPolarHBondContact CB-ND2 3.38Å; N146-N196 VanDerWaalsContact OD1-CB 3.25Å; N146-N196 WeakPolarHBondContact OD1-CB 3.48Å; N146-D282 PolarHBondContact ND2-OD2 3.17Å; N146-G284 VanDerWaalsContact OD1-CA 3.29Å; N146-G284 WeakPolarHBondContact OD1-CA 3.24Å; N146-G284 PolarHBondContact OD1-N 2.86Å; N146-L286 WeakPolarHBondContact ND2-CD1 3.27Å | ||
| 147 | D | 84.5 | Confident | 77 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | trans | -113.1 | -10.7 | -169.6 | 96.2 | -14.9 | 0 | 0 | 0 | 116.2 | L145 | L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.93Å | ||
| 148 | N | 83.5 | Confident | 74.9 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 127.8 | 173.8 | -57.8 | -89.2 | 0 | 0 | 0 | 111.6 | A190 D191 L286 | N148-A190 HydrophobicContact CB-CB 3.82Å; N148-D191 WeakPolarHBondContact CB-OD1 3.21Å; N148-D191 PolarHBondContact N-OD1 3.02Å; N148-D191 PolarHBondContact ND2-OD1 2.94Å; N148-L286 WeakPolarHBondContact O-CD1 3.18Å |
| 149 | P | 86.7 | Confident | 72.5 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -81 | 153 | 172.5 | 32.8 | -34.3 | 0 | 0 | 0 | 111.6 | Q151 L286 | P149-Q151 VanDerWaalsContact O-CG 3.27Å; P149-Q151 WeakPolarHBondContact O-CG 3.2Å; P149-L286 HydrophobicContact CB-CB 4.08Å; P149-L286 HydrophobicContact CB-CD1 4.4Å |
| 150 | P | 88.6 | Confident | 70.1 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.032 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 138.3 | 174.3 | -27.2 | 32.6 | 0 | 0 | 0 | 113.3 | A187 F188 V198 A280 D282 G288 | P150-A187 HydrophobicContact CB-CB 3.84Å; P150-F188 CarbonylContact C-O 3.59Å; P150-F188 WeakPolarHBondContact CA-O 3.13Å; P150-V198 HydrophobicContact CB-CG2 3.91Å; P150-V198 HydrophobicContact CG-CG2 4.12Å; P150-A280 HydrophobicContact CB-CB 4.03Å; P150-D282 HydrophobicContact CG-CB 3.73Å; P150-G288 WeakPolarHBondContact O-CA 3.43Å |
| 151 | Q | 86.1 | Confident | 67.6 | Low | 108 Ų | 108 | 85.3 Ų | 85.3 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.4 | -177.8 | -51.6 | -167.4 | 24 | 0 | 0 | 112 | P149 A187 F188 | P149-Q151 VanDerWaalsContact O-CG 3.27Å; P149-Q151 WeakPolarHBondContact O-CG 3.2Å; Q151-A187 CarbonylContact O-C 3.28Å; Q151-A187 VanDerWaalsContact O-CA 3.31Å; Q151-A187 WeakPolarHBondContact O-CA 3.41Å; Q151-F188 PolarHBondContact N-O 3.21Å; Q151-F188 PolarHBondContact O-N 3.31Å |
| 152 | F | 84.1 | Confident | 65.2 | Low | 27 Ų | 27 | 93 Ų | 93 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.3 | 174 | -69.9 | -86 | 0 | 0 | 0 | 110.2 | P185 A187 Y201 L278 A280 I290 | F152-P185 WeakPolarHBondContact CD1-O 3.14Å; F152-P185 WeakPolarHBondContact CE1-O 3.13Å; F152-A187 HydrophobicContact CD1-CB 4.02Å; F152-A187 HydrophobicContact CD2-CB 4.18Å; F152-A187 HydrophobicContact CE1-CB 3.91Å; F152-A187 HydrophobicContact CE2-CB 4.08Å; F152-A187 HydrophobicContact CG-CB 4.16Å; F152-A187 HydrophobicContact CZ-CB 3.95Å; F152-Y201 HydrophobicContact CE1-CE1 4.18Å; F152-Y201 HydrophobicContact CZ-CD1 4.36Å; F152-Y201 HydrophobicContact CZ-CE1 4.28Å; F152-L278 HydrophobicContact CD1-CD2 4.29Å; F152-L278 HydrophobicContact CE1-CD2 3.53Å; F152-L278 HydrophobicContact CE1-CG 4.02Å; F152-L278 HydrophobicContact CZ-CD2 3.87Å; F152-L278 HydrophobicContact CZ-CG 3.81Å; F152-A280 HydrophobicContact CE2-CB 3.8Å; F152-A280 HydrophobicContact CZ-CB 3.59Å; F152-I290 HydrophobicContact CB-CB 4.13Å; F152-I290 HydrophobicContact CB-CD1 3.95Å; F152-I290 HydrophobicContact CB-CG2 4.13Å; F152-I290 HydrophobicContact CD1-CG2 3.93Å; F152-I290 HydrophobicContact CD2-CB 3.88Å; F152-I290 HydrophobicContact CD2-CG2 3.71Å; F152-I290 HydrophobicContact CE1-CG2 4.21Å; F152-I290 HydrophobicContact CE2-CB 4.48Å; F152-I290 HydrophobicContact CE2-CG2 4Å; F152-I290 HydrophobicContact CG-CB 4.03Å; F152-I290 HydrophobicContact CG-CG2 3.66Å; F152-I290 HydrophobicContact CZ-CG2 4.23Å |
| 153 | N | 69.5 | Low | 62.9 | Low | 78 Ų | 78 | 104.5 Ų | 104.5 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | trans | -87.1 | 109.6 | 172.9 | -71.4 | -31.4 | 0 | 0 | 0 | 109.7 | F155 F188 | N153-F155 HydrophobicContact CB-CE2 4.44Å; N153-F188 HydrophobicContact CB-CD2 4.07Å; N153-F188 HydrophobicContact CB-CE2 3.88Å; N153-F188 WeakPolarHBondContact ND2-CD2 3.3Å | ||
| 154 | V | 60.2 | Low | 61.3 | Low | 71 Ų | 71 | 105.1 Ų | 105.1 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | trans | -96.6 | 113.6 | 167.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | S156 I167 P185 I290 | V154-S156 PolarHBondContact O-N 3.5Å; V154-I167 HydrophobicContact CG2-CG1 4.05Å; V154-P185 HydrophobicContact CG2-CG 4.41Å; V154-I290 HydrophobicContact CG2-CD1 3.37Å | ||
| 155 | F | 53.3 | Low | 60.4 | Low | 172 Ų | 172 | 112.2 Ų | 112.2 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | trans | -77.5 | 118.1 | 169 | -72.9 | -87 | 0 | 0 | 0 | 108.7 | N153 D157 | N153-F155 HydrophobicContact CB-CE2 4.44Å; F155-D157 PolarHBondContact O-N 3.4Å | ||
| 156 | S | 45.1 | Very low | 60.1 | Low | 96 Ų | 96 | 110.8 Ų | 110.8 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | trans | -84.9 | 86 | 177.2 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | V154 | V154-S156 PolarHBondContact O-N 3.5Š| ||
| 157 | D | 40.3 | Very low | 60 | Low | 143 Ų | 143 | 109.5 Ų | 109.5 | 77% | 0.765 | 54% | 0.536 | S | S | * | . | trans | -67.2 | 143.1 | 162.5 | -76.7 | -43.5 | 0 | 0 | 0 | 110 | F155 | F155-D157 PolarHBondContact O-N 3.4Š| ||
| 158 | Y | 35.6 | Very low | 59.9 | Low | 213 Ų | 213 | 109.7 Ų | 109.7 | 84% | 0.835 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 68.9 | 147.8 | -172.7 | -62 | -86.2 | 0 | 0 | 0 | 117.3 | T160 | Y158-T160 PolarHBondContact O-N 2.94Š|
| 159 | Q | 32.4 | Very low | 60 | Low | 203 Ų | 203 | 108.8 Ų | 108.8 | 95% | 0.949 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -86.2 | 75.8 | -159.9 | -64.1 | 177.1 | -23.2 | 0 | 0 | 113.4 | ||
| 160 | T | 34.1 | Very low | 59.9 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 69% | 0.693 | 53% | 0.526 | S | S | * | . | trans | -126.6 | 140.6 | 162.6 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | Y158 Y162 | Y158-T160 PolarHBondContact O-N 2.94Å; T160-Y162 PolarHBondContact O-N 2.7Å; T160-Y162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | N | 33.1 | Very low | 59.9 | Low | 170 Ų | 170 | 108.2 Ų | 108.2 | 91% | 0.909 | 53% | 0.526 | S | S | * | . | trans | -92.3 | 59.9 | -163.2 | -168.1 | 17.1 | 0 | 0 | 0 | 112.5 | ||||
| 162 | Y | 34 | Very low | 59.7 | Low | 182 Ų | 182 | 105.8 Ų | 105.8 | 71% | 0.714 | 52% | 0.516 | S | S | * | . | trans | -121.3 | 127.6 | 179.3 | -79.8 | -86.3 | 0 | 0 | 0 | 112.6 | T160 S164 | T160-Y162 PolarHBondContact O-N 2.7Å; T160-Y162 VanDerWaalsContact O-N 3.1Å; Y162-S164 WeakPolarHBondContact CB-OG 3.45Å; Y162-S164 PolarHBondContact O-N 2.67Å | ||
| 163 | R | 38.4 | Very low | 59.5 | Low | 249 Ų | 249 | 104.6 Ų | 104.6 | 94% | 0.94 | 51% | 0.511 | S | S | * | . | trans | -77.1 | 62.1 | 160.2 | -76.6 | -178.6 | 165.5 | -174.9 | -5.5 | 109.8 | K165 | R163-K165 PolarHBondContact O-N 3.31Š| ||
| 164 | S | 47.9 | Very low | 59.8 | Low | 63 Ų | 63 | 101.6 Ų | 101.6 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | trans | -62.8 | 115.9 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | Y162 S166 | Y162-S164 WeakPolarHBondContact CB-OG 3.45Å; Y162-S164 PolarHBondContact O-N 2.67Å; S164-S166 PolarHBondContact O-N 3.1Å | ||
| 165 | K | 64.9 | Low | 60.6 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 78% | 0.778 | 51% | 0.507 | S | S | * | . | trans | -85 | 26.2 | 167.6 | -67.4 | -169.8 | 173.3 | -169.1 | 0 | 111.4 | R163 I290 Q291 | R163-K165 PolarHBondContact O-N 3.31Å; K165-I290 WeakPolarHBondContact O-CG1 3.32Å; K165-Q291 WeakPolarHBondContact O-CB 3.29Å; K165-Q291 PolarHBondContact O-N 3.22Å | ||
| 166 | S | 76.4 | Confident | 61.6 | Low | 17 Ų | 17 | 99.4 Ų | 99.4 | 12% | 0.119 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.3 | -172.7 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | S164 H168 Q291 | S164-S166 PolarHBondContact O-N 3.1Å; S166-H168 PolarHBondContact OG-NE2 2.74Å; S166-Q291 CarbonylContact C-O 3Å; S166-Q291 VanDerWaalsContact CA-O 3.28Å; S166-Q291 WeakPolarHBondContact CA-O 3.01Å |
| 167 | I | 82 | Confident | 63 | Low | 20 Ų | 20 | 94.9 Ų | 94.9 | 10% | 0.103 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.5 | 164.5 | -60.7 | 150.4 | 0 | 0 | 0 | 105.6 | V154 L169 L184 P185 I290 Q291 L292 I293 | V154-I167 HydrophobicContact CG2-CG1 4.05Å; I167-L169 HydrophobicContact CG2-CD2 3.85Å; I167-L169 HydrophobicContact CG2-CG 4.13Å; I167-L184 HydrophobicContact CD1-CD2 4.25Å; I167-L184 HydrophobicContact CG2-CD2 4.44Å; I167-P185 HydrophobicContact CD1-CG 3.51Å; I167-P185 HydrophobicContact CG1-CG 4.26Å; I167-I290 HydrophobicContact CD1-CD1 3.9Å; I167-I290 HydrophobicContact CD1-CG1 4.23Å; I167-I290 HydrophobicContact CD1-CG2 3.83Å; I167-I290 HydrophobicContact CG1-CD1 3.95Å; I167-I290 HydrophobicContact CG1-CG1 4.42Å; I167-Q291 PolarHBondContact N-O 3.38Å; I167-L292 HydrophobicContact CB-CD2 3.93Å; I167-L292 HydrophobicContact CD1-CD2 3.63Å; I167-L292 HydrophobicContact CG1-CD2 4.38Å; I167-I293 PolarHBondContact O-N 3.17Å |
| 168 | H | 81.5 | Confident | 65 | Low | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133 | 172.6 | -70.3 | -109.7 | 0 | 0 | 0 | 108.7 | S166 I293 E295 | S166-H168 PolarHBondContact OG-NE2 2.74Å; H168-I293 CarbonylContact C-O 3.42Å; H168-I293 WeakPolarHBondContact CA-O 3.41Å; H168-E295 IonicContact CE1-OE1 3.27Å; H168-E295 IonicContact CG-OE1 2.75Å; H168-E295 IonicContact ND1-OE1 3.61Å; H168-E295 PolarHBondContact ND1-OE1 3.19Å |
| 169 | L | 86.6 | Confident | 67.3 | Low | 19 Ų | 19 | 84.8 Ų | 84.8 | 10% | 0.099 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.5 | 177.7 | -57.9 | 177.1 | 0 | 0 | 0 | 107.8 | I167 H182 L184 I260 I293 I294 E295 | I167-L169 HydrophobicContact CG2-CD2 3.85Å; I167-L169 HydrophobicContact CG2-CG 4.13Å; L169-H182 HydrophobicContact CD1-CB 4.24Å; L169-H182 HydrophobicContact CD2-CB 3.76Å; L169-L184 HydrophobicContact CD1-CD2 4.17Å; L169-I260 HydrophobicContact CD1-CG2 3.58Å; L169-I293 PolarHBondContact N-O 2.76Å; L169-I294 HydrophobicContact CB-CG1 4.37Å; L169-I294 HydrophobicContact CD1-CG1 4.42Å; L169-I294 CarbonylContact O-C 3.59Å; L169-I294 WeakPolarHBondContact O-CA 3.46Å; L169-E295 PolarHBondContact O-N 2.99Å |
| 170 | S | 84.3 | Confident | 69.8 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.2 | 173.8 | 78 | 0 | 0 | 0 | 0 | 112 | H182 E295 D297 | S170-H182 PolarHBondContact O-NE2 2.04Å; S170-E295 VanDerWaalsContact CA-O 3.29Å; S170-E295 WeakPolarHBondContact CA-O 3.22Å; S170-D297 VanDerWaalsContact CB-CG 3.46Å; S170-D297 VanDerWaalsContact CB-OD1 3.32Å; S170-D297 WeakPolarHBondContact CB-OD1 3.18Å; S170-D297 WeakPolarHBondContact CB-OD2 3.49Å; S170-D297 PolarHBondContact OG-OD2 3.16Å |
| 171 | F | 87.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.4 | 173.5 | -69.8 | -55.8 | 0 | 0 | 0 | 109.5 | T180 H182 F247 L262 L266 I294 E295 V296 D297 | F171-T180 WeakPolarHBondContact CD1-OG1 3.15Å; F171-T180 WeakPolarHBondContact CE1-OG1 3.48Å; F171-H182 AromaticContact CD1-CD2 3.96Å; F171-H182 AromaticContact CD1-NE2 4Å; F171-H182 AromaticContact CE1-CD2 3.39Å; F171-H182 WeakPolarHBondContact CE1-CD2 3.4Å; F171-H182 AromaticContact CE1-NE2 3.88Å; F171-H182 AromaticContact CZ-CD2 3.76Å; F171-F247 HydrophobicContact CD2-CD1 4.47Å; F171-F247 AromaticContact CD2-CE1 3.92Å; F171-F247 HydrophobicContact CD2-CE1 3.92Å; F171-F247 AromaticContact CE2-CD1 3.93Å; F171-F247 HydrophobicContact CE2-CD1 3.93Å; F171-F247 AromaticContact CE2-CE1 3.81Å; F171-F247 HydrophobicContact CE2-CE1 3.81Å; F171-L262 HydrophobicContact CB-CD2 4.15Å; F171-L262 HydrophobicContact CD1-CB 4.33Å; F171-L262 HydrophobicContact CD2-CD1 4.44Å; F171-L262 HydrophobicContact CE1-CB 4.22Å; F171-L262 HydrophobicContact CE2-CB 4.45Å; F171-L262 HydrophobicContact CG-CB 4.48Å; F171-L262 HydrophobicContact CG-CD2 4.27Å; F171-L262 HydrophobicContact CZ-CB 4.28Å; F171-L266 HydrophobicContact CB-CD1 4.01Å; F171-L266 HydrophobicContact CD2-CD1 4.36Å; F171-I294 HydrophobicContact CD2-CG2 3.52Å; F171-I294 HydrophobicContact CE2-CD1 4.34Å; F171-I294 HydrophobicContact CE2-CG2 3.98Å; F171-E295 PolarHBondContact N-O 2.81Å; F171-V296 CarbonylContact O-C 3.48Å; F171-V296 WeakPolarHBondContact O-CA 3.4Å; F171-D297 PolarHBondContact O-N 2.95Å |
| 172 | L | 82.6 | Confident | 74.8 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 141.2 | 167.9 | -72.4 | 160.2 | 0 | 0 | 0 | 110.6 | L176 G177 D297 V299 | L172-L176 HydrophobicContact CB-CB 4.1Å; L172-L176 HydrophobicContact CD1-CB 4.3Å; L172-G177 WeakPolarHBondContact O-CA 3.32Å; L172-G177 PolarHBondContact O-N 3.16Å; L172-D297 HydrophobicContact CD2-CB 4.1Å; L172-D297 HydrophobicContact CG-CB 4.42Å; L172-V299 HydrophobicContact CB-CG2 4.37Å; L172-V299 HydrophobicContact CD2-CG2 3.67Å |
| 173 | E | 80.7 | Confident | 77.2 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -75.8 | 176.1 | 174.4 | 70.2 | -171.3 | 124.1 | 0 | 0 | 114.3 | L176 R268 V296 D297 D298 V299 | E173-L176 PolarHBondContact O-N 3.42Å; E173-R268 VanDerWaalsContact CD-CB 3.5Å; E173-R268 WeakPolarHBondContact OE1-CB 3.26Å; E173-R268 IonicContact OE1-CZ 2.7Å; E173-R268 IonicContact OE1-NE 3.91Å; E173-R268 IonicContact OE1-NH1 3.21Å; E173-R268 PolarHBondContact OE1-NH1 2.68Å; E173-R268 WeakPolarHBondContact OE2-CB 3.47Å; E173-R268 PolarHBondContact OE2-N 3.25Å; E173-R268 IonicContact OE2-NH1 3.98Å; E173-V296 HydrophobicContact CB-CG1 3.69Å; E173-D297 PolarHBondContact N-O 3.1Å; E173-D297 VanDerWaalsContact N-O 3.17Å; E173-D298 WeakPolarHBondContact OE1-CA 3.36Å; E173-V299 HydrophobicContact CG-CB 3.84Å; E173-V299 HydrophobicContact CG-CG2 3.95Å; E173-V299 PolarHBondContact OE1-N 3.07Å; E173-V299 VanDerWaalsContact OE1-N 3.08Å |
| 174 | G | 75.4 | Confident | 79.5 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | 53.8 | -148.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L176 G177 L266 | G174-L176 PolarHBondContact O-N 2.9Å; G174-G177 PolarHBondContact O-N 3.27Å; G174-L266 PolarHBondContact N-O 2.91Å |
| 175 | S | 77 | Confident | 81.1 | Confident | 89 Ų | 89 | 56 Ų | 56 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.2 | -16.2 | -177.6 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | E265 | S175-E265 WeakPolarHBondContact CA-OE1 3.36Å; S175-E265 WeakPolarHBondContact CB-OE1 3.06Å |
| 176 | L | 74.3 | Confident | 82 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.5 | -29.3 | -179.4 | -69.9 | 176.4 | 0 | 0 | 0 | 112.8 | L172 E173 G174 V299 | L172-L176 HydrophobicContact CB-CB 4.1Å; L172-L176 HydrophobicContact CD1-CB 4.3Å; E173-L176 PolarHBondContact O-N 3.42Å; G174-L176 PolarHBondContact O-N 2.9Å; L176-V299 HydrophobicContact CD1-CG1 4.09Å; L176-V299 HydrophobicContact CD1-CG2 4.24Å |
| 177 | G | 73.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.3 | -26 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L172 G174 N179 T180 L262 | L172-G177 WeakPolarHBondContact O-CA 3.32Å; L172-G177 PolarHBondContact O-N 3.16Å; G174-G177 PolarHBondContact O-N 3.27Å; G177-N179 PolarHBondContact O-N 3.36Å; G177-T180 VanDerWaalsContact O-CB 3.27Å; G177-T180 WeakPolarHBondContact O-CB 3.05Å; G177-T180 WeakPolarHBondContact O-CG2 3.49Å; G177-T180 PolarHBondContact O-N 2.89Å; G177-T180 PolarHBondContact O-OG1 3.36Å; G177-L262 VanDerWaalsContact C-CD2 3.46Å; G177-L262 VanDerWaalsContact O-CD2 3.29Å; G177-L262 WeakPolarHBondContact O-CD2 3.42Å |
| 178 | V | 82.5 | Confident | 82.4 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 130.4 | -164.7 | -162.4 | 0 | 0 | 0 | 0 | 112.2 | T180 E265 | V178-T180 VanDerWaalsContact C-N 3.26Å; V178-T180 PolarHBondContact O-N 3.45Å; V178-E265 HydrophobicContact CG2-CB 4.28Å; V178-E265 HydrophobicContact CG2-CG 3.29Å |
| 179 | N | 85 | Confident | 82.5 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5.6 | -172.5 | -44.6 | -88.4 | 0 | 0 | 0 | 115.9 | G177 Q261 L262 | G177-N179 PolarHBondContact O-N 3.36Å; N179-Q261 PolarHBondContact OD1-NE2 3Å; N179-L262 VanDerWaalsContact CA-O 3.32Å; N179-L262 WeakPolarHBondContact CA-O 3.2Å; N179-L262 PolarHBondContact N-O 2.71Å |
| 180 | T | 83.7 | Confident | 82.2 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | trans | -60.9 | 155.9 | 164.4 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | F171 G177 V178 Q261 L262 | F171-T180 WeakPolarHBondContact CD1-OG1 3.15Å; F171-T180 WeakPolarHBondContact CE1-OG1 3.48Å; G177-T180 VanDerWaalsContact O-CB 3.27Å; G177-T180 WeakPolarHBondContact O-CB 3.05Å; G177-T180 WeakPolarHBondContact O-CG2 3.49Å; G177-T180 PolarHBondContact O-N 2.89Å; G177-T180 PolarHBondContact O-OG1 3.36Å; V178-T180 VanDerWaalsContact C-N 3.26Å; V178-T180 PolarHBondContact O-N 3.45Å; T180-Q261 WeakPolarHBondContact O-CA 3.32Å; T180-L262 PolarHBondContact O-N 3.08Å | ||
| 181 | K | 86.9 | Confident | 82.1 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 137.7 | -169.6 | -72.4 | 173.9 | -178.6 | 176.9 | 0 | 110.8 | I259 I260 Q261 | K181-I259 HydrophobicContact CB-CG2 3.91Å; K181-I259 HydrophobicContact CD-CG2 4.36Å; K181-I259 HydrophobicContact CG-CG2 4.15Å; K181-I260 WeakPolarHBondContact CA-O 3.14Å; K181-Q261 HydrophobicContact CG-CB 3.94Å; K181-Q261 HydrophobicContact CG-CG 4.02Å |
| 182 | H | 84.9 | Confident | 81.6 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134 | 167 | -71.7 | -62.4 | 0 | 0 | 0 | 110.2 | L169 S170 F171 I259 I260 | L169-H182 HydrophobicContact CD1-CB 4.24Å; L169-H182 HydrophobicContact CD2-CB 3.76Å; S170-H182 PolarHBondContact O-NE2 2.04Å; F171-H182 AromaticContact CD1-CD2 3.96Å; F171-H182 AromaticContact CD1-NE2 4Å; F171-H182 AromaticContact CE1-CD2 3.39Å; F171-H182 WeakPolarHBondContact CE1-CD2 3.4Å; F171-H182 AromaticContact CE1-NE2 3.88Å; F171-H182 AromaticContact CZ-CD2 3.76Å; H182-I259 WeakPolarHBondContact O-CA 3.24Å; H182-I259 WeakPolarHBondContact O-CG2 3.34Å; H182-I260 HydrophobicContact CB-CG2 4.03Å; H182-I260 PolarHBondContact N-O 2.89Å; H182-I260 PolarHBondContact O-N 2.83Å |
| 183 | D | 85.1 | Confident | 81.2 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 145.8 | 168.1 | -71.5 | -64.3 | 0 | 0 | 0 | 109.9 | N257 I259 | D183-N257 PolarHBondContact OD1-ND2 2.96Å; D183-N257 VanDerWaalsContact OD1-ND2 3.16Å; D183-I259 WeakPolarHBondContact OD1-CG1 3.2Å |
| 184 | L | 86.1 | Confident | 80.8 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.7 | -178 | -74.3 | 172.4 | 0 | 0 | 0 | 110.7 | I167 L169 L249 L258 I260 L278 L292 | I167-L184 HydrophobicContact CD1-CD2 4.25Å; I167-L184 HydrophobicContact CG2-CD2 4.44Å; L169-L184 HydrophobicContact CD1-CD2 4.17Å; L184-L249 HydrophobicContact CD1-CD1 3.5Å; L184-L249 VanDerWaalsContact CD1-CD1 3.5Å; L184-L258 HydrophobicContact CB-CB 4.44Å; L184-L258 HydrophobicContact CB-CD2 4.1Å; L184-L258 HydrophobicContact CB-CG 4.06Å; L184-L258 PolarHBondContact N-O 2.81Å; L184-I260 HydrophobicContact CD1-CB 3.81Å; L184-I260 HydrophobicContact CD1-CG2 3.91Å; L184-I260 HydrophobicContact CD2-CG2 4.33Å; L184-I260 HydrophobicContact CG-CB 4.45Å; L184-I260 HydrophobicContact CG-CG2 4.04Å; L184-L278 HydrophobicContact CB-CD2 4.37Å; L184-L278 HydrophobicContact CD1-CD1 4.34Å; L184-L278 HydrophobicContact CD1-CD2 4.15Å; L184-L292 HydrophobicContact CD1-CD1 4.26Å; L184-L292 HydrophobicContact CD2-CD1 4.37Å; L184-L292 HydrophobicContact CD2-CD2 3.7Å |
| 185 | P | 82.5 | Confident | 80.8 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.3 | 175.6 | 29 | -34.6 | 0 | 0 | 0 | 110.4 | F152 V154 I167 | F152-P185 WeakPolarHBondContact CD1-O 3.14Å; F152-P185 WeakPolarHBondContact CE1-O 3.13Å; V154-P185 HydrophobicContact CG2-CG 4.41Å; I167-P185 HydrophobicContact CD1-CG 3.51Å; I167-P185 HydrophobicContact CG1-CG 4.26Å |
| 186 | R | 83.9 | Confident | 80.8 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 152.7 | 169.8 | -80.7 | 169 | 55.2 | -156.1 | 19.1 | 110.8 | F188 E256 L258 | R186-F188 WeakPolarHBondContact O-CE2 3.44Å; R186-E256 WeakPolarHBondContact CD-O 3.38Å; R186-E256 IonicContact CZ-OE1 2.91Å; R186-E256 IonicContact CZ-OE2 3.03Å; R186-E256 IonicContact NH1-OE1 3.69Å; R186-E256 IonicContact NH1-OE2 3.76Å; R186-E256 PolarHBondContact NH1-OE2 3.47Å; R186-E256 IonicContact NH2-OE1 3.09Å; R186-E256 PolarHBondContact NH2-OE1 2.9Å; R186-E256 IonicContact NH2-OE2 3.1Å; R186-E256 PolarHBondContact NH2-OE2 2.61Å; R186-L258 HydrophobicContact CG-CB 4.37Å |
| 187 | A | 83.9 | Confident | 80.9 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 142 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P150 Q151 F152 V198 Y201 A280 | P150-A187 HydrophobicContact CB-CB 3.84Å; Q151-A187 CarbonylContact O-C 3.28Å; Q151-A187 VanDerWaalsContact O-CA 3.31Å; Q151-A187 WeakPolarHBondContact O-CA 3.41Å; F152-A187 HydrophobicContact CD1-CB 4.02Å; F152-A187 HydrophobicContact CD2-CB 4.18Å; F152-A187 HydrophobicContact CE1-CB 3.91Å; F152-A187 HydrophobicContact CE2-CB 4.08Å; F152-A187 HydrophobicContact CG-CB 4.16Å; F152-A187 HydrophobicContact CZ-CB 3.95Å; A187-V198 HydrophobicContact CB-CG1 4.48Å; A187-V198 HydrophobicContact CB-CG2 4.17Å; A187-Y201 HydrophobicContact CB-CE1 4.12Å; A187-Y201 PolarHBondContact N-OH 3.4Å; A187-Y201 PolarHBondContact O-OH 2.79Å; A187-A280 HydrophobicContact CB-CB 3.41Å; A187-A280 VanDerWaalsContact CB-CB 3.41Å |
| 188 | F | 83 | Confident | 81.2 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 46% | 0.456 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152 | 172.3 | -60.9 | -97.5 | 0 | 0 | 0 | 109 | P150 Q151 N153 R186 | P150-F188 CarbonylContact C-O 3.59Å; P150-F188 WeakPolarHBondContact CA-O 3.13Å; Q151-F188 PolarHBondContact N-O 3.21Å; Q151-F188 PolarHBondContact O-N 3.31Å; N153-F188 HydrophobicContact CB-CD2 4.07Å; N153-F188 HydrophobicContact CB-CE2 3.88Å; N153-F188 WeakPolarHBondContact ND2-CD2 3.3Å; R186-F188 WeakPolarHBondContact O-CE2 3.44Å |
| 189 | D | 83.7 | Confident | 81 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | trans | -120.5 | 144.2 | 174.6 | -111.1 | -42.8 | 0 | 0 | 0 | 110.8 | R197 V198 | D189-R197 HydrophobicContact CB-CB 4.3Å; D189-R197 HydrophobicContact CB-CG 4.17Å; D189-R197 WeakPolarHBondContact OD2-CA 3.32Å; D189-V198 HydrophobicContact CB-CG2 4.14Å; D189-V198 WeakPolarHBondContact OD2-CG2 3.31Å; D189-V198 PolarHBondContact OD2-N 3.02Å | ||
| 190 | A | 80.7 | Confident | 81 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | trans | -97.7 | -23.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N148 | N148-A190 HydrophobicContact CB-CB 3.82Š| ||
| 191 | D | 81.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -55 | 138.6 | -179.4 | -72.1 | 0.9 | 0 | 0 | 0 | 112.7 | N146 N148 S193 N196 | N146-D191 WeakPolarHBondContact CA-OD2 3.49Å; N148-D191 WeakPolarHBondContact CB-OD1 3.21Å; N148-D191 PolarHBondContact N-OD1 3.02Å; N148-D191 PolarHBondContact ND2-OD1 2.94Å; D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 PolarHBondContact O-N 2.95Å; D191-N196 HydrophobicContact CB-CB 3.66Å; D191-N196 VanDerWaalsContact OD2-CB 3.26Å; D191-N196 WeakPolarHBondContact OD2-CB 3.37Å; D191-N196 PolarHBondContact OD2-ND2 3.32Å | ||
| 192 | F | 77.4 | Confident | 81.2 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -67.2 | -33.1 | -177 | -176 | -88.5 | 0 | 0 | 0 | 112.2 | L60 P74 D144 | L60-F192 HydrophobicContact CB-CB 4.27Å; L60-F192 HydrophobicContact CB-CD2 4.49Å; L60-F192 HydrophobicContact CB-CG 4.44Å; L60-F192 HydrophobicContact CD1-CB 4.35Å; L60-F192 HydrophobicContact CD1-CD1 4.24Å; L60-F192 HydrophobicContact CD1-CG 4.27Å; P74-F192 HydrophobicContact CB-CD2 4.23Å; P74-F192 HydrophobicContact CB-CE2 4.23Å; D144-F192 WeakPolarHBondContact OD1-CA 3.26Å; D144-F192 WeakPolarHBondContact OD1-CB 3.48Å; D144-F192 PolarHBondContact OD1-N 3.36Å; D144-F192 VanDerWaalsContact OD1-N 3.08Å |
| 193 | S | 74 | Confident | 81.4 | Confident | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | trans | -73.4 | 125.4 | 179.1 | 167.2 | 0 | 0 | 0 | 0 | 113.2 | D144 D191 I195 N196 | D144-S193 WeakPolarHBondContact OD1-CB 3.16Å; D144-S193 PolarHBondContact OD1-N 2.74Å; D144-S193 WeakPolarHBondContact OD2-CB 3.38Å; D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 PolarHBondContact O-N 2.95Å; S193-I195 PolarHBondContact O-N 3.28Å; S193-I195 VanDerWaalsContact O-N 3.14Å; S193-I195 PolarHBondContact OG-N 2.85Å; S193-N196 VanDerWaalsContact CB-CG 3.48Å; S193-N196 WeakPolarHBondContact CB-OD1 3.47Å; S193-N196 PolarHBondContact O-N 3.04Å; S193-N196 PolarHBondContact OG-OD1 3.01Å | ||
| 194 | I | 71.8 | Confident | 81.5 | Confident | 110 Ų | 110 | 49.2 Ų | 49.2 | 56% | 0.564 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -58.2 | -26.4 | 172 | -61.6 | 173.1 | 0 | 0 | 0 | 112.2 | N196 | I194-N196 VanDerWaalsContact C-N 3.29Š|
| 195 | I | 74.7 | Confident | 81.5 | Confident | 140 Ų | 140 | 54 Ų | 54 | 72% | 0.718 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -71.2 | -30.3 | 179.2 | -59.6 | 176.2 | 0 | 0 | 0 | 110.7 | S193 R197 G283 | S193-I195 PolarHBondContact O-N 3.28Å; S193-I195 VanDerWaalsContact O-N 3.14Å; S193-I195 PolarHBondContact OG-N 2.85Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-G283 VanDerWaalsContact O-CA 3.24Å; I195-G283 WeakPolarHBondContact O-CA 3.06Å |
| 196 | N | 77.5 | Confident | 81.3 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -82.6 | -9.2 | -174.2 | -56 | 19.6 | 0 | 0 | 0 | 112.5 | D144 N146 D191 S193 I194 D282 G283 | D144-N196 PolarHBondContact OD2-ND2 3.41Å; N146-N196 WeakPolarHBondContact CA-ND2 3.41Å; N146-N196 WeakPolarHBondContact CB-ND2 3.38Å; N146-N196 VanDerWaalsContact OD1-CB 3.25Å; N146-N196 WeakPolarHBondContact OD1-CB 3.48Å; D191-N196 HydrophobicContact CB-CB 3.66Å; D191-N196 VanDerWaalsContact OD2-CB 3.26Å; D191-N196 WeakPolarHBondContact OD2-CB 3.37Å; D191-N196 PolarHBondContact OD2-ND2 3.32Å; S193-N196 VanDerWaalsContact CB-CG 3.48Å; S193-N196 WeakPolarHBondContact CB-OD1 3.47Å; S193-N196 PolarHBondContact O-N 3.04Å; S193-N196 PolarHBondContact OG-OD1 3.01Å; I194-N196 VanDerWaalsContact C-N 3.29Å; N196-D282 VanDerWaalsContact O-CB 3.32Å; N196-D282 WeakPolarHBondContact O-CB 3.43Å; N196-G283 PolarHBondContact O-N 2.85Å |
| 197 | R | 77.2 | Confident | 80 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -76.6 | 156.9 | -173.3 | -63.9 | -179.1 | 175 | -155.8 | -10.6 | 114.2 | D189 I195 K199 | D189-R197 HydrophobicContact CB-CB 4.3Å; D189-R197 HydrophobicContact CB-CG 4.17Å; D189-R197 WeakPolarHBondContact OD2-CA 3.32Å; I195-R197 VanDerWaalsContact C-N 3.33Å; R197-K199 PolarHBondContact O-N 3.43Å |
| 198 | V | 80.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -39.3 | 123.8 | 177.6 | -162.2 | 0 | 0 | 0 | 0 | 114.2 | P150 A187 D189 Y201 A280 | P150-V198 HydrophobicContact CB-CG2 3.91Å; P150-V198 HydrophobicContact CG-CG2 4.12Å; A187-V198 HydrophobicContact CB-CG1 4.48Å; A187-V198 HydrophobicContact CB-CG2 4.17Å; D189-V198 HydrophobicContact CB-CG2 4.14Å; D189-V198 WeakPolarHBondContact OD2-CG2 3.31Å; D189-V198 PolarHBondContact OD2-N 3.02Å; V198-Y201 HydrophobicContact CG1-CE1 3.93Å; V198-Y201 HydrophobicContact CG1-CE2 4.07Å; V198-A280 HydrophobicContact CG1-CB 3.94Å | ||
| 199 | K | 78.1 | Confident | 75.8 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | trans | -121.8 | -42.8 | -163.6 | -178.7 | -175.4 | -175.4 | 179.8 | 0 | 112.5 | R197 Q281 D282 G283 | R197-K199 PolarHBondContact O-N 3.43Å; K199-Q281 WeakPolarHBondContact CB-O 3.38Å; K199-Q281 PolarHBondContact N-O 2.73Å; K199-D282 VanDerWaalsContact CB-O 3.26Å; K199-D282 WeakPolarHBondContact CB-O 3.39Å; K199-D282 WeakPolarHBondContact CD-O 3.34Å; K199-G283 PolarHBondContact NZ-O 3.47Å | ||
| 200 | N | 83.4 | Confident | 73.2 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.3 | -177 | -64.2 | -34.5 | 0 | 0 | 0 | 111.6 | W202 A280 Q281 | N200-W202 HydrophobicContact CB-CE3 4.14Å; N200-W202 HydrophobicContact CB-CZ3 3.89Å; N200-A280 WeakPolarHBondContact O-CA 3.39Å; N200-Q281 HydrophobicContact CB-CB 4.29Å; N200-Q281 PolarHBondContact N-O 2.81Å; N200-Q281 PolarHBondContact ND2-OE1 3.33Å; N200-Q281 PolarHBondContact O-N 2.85Å |
| 201 | Y | 87.3 | Confident | 70.7 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.2 | 167.7 | -64.2 | -82.4 | 0 | 0 | 0 | 110.6 | F152 A187 V198 Y251 L258 I279 A280 | F152-Y201 HydrophobicContact CE1-CE1 4.18Å; F152-Y201 HydrophobicContact CZ-CD1 4.36Å; F152-Y201 HydrophobicContact CZ-CE1 4.28Å; A187-Y201 HydrophobicContact CB-CE1 4.12Å; A187-Y201 PolarHBondContact N-OH 3.4Å; A187-Y201 PolarHBondContact O-OH 2.79Å; V198-Y201 HydrophobicContact CG1-CE1 3.93Å; V198-Y201 HydrophobicContact CG1-CE2 4.07Å; Y201-Y251 HydrophobicContact CD2-CD1 4.02Å; Y201-Y251 AromaticContact CD2-CD2 3.89Å; Y201-Y251 HydrophobicContact CD2-CD2 3.89Å; Y201-Y251 HydrophobicContact CD2-CE1 4.16Å; Y201-Y251 HydrophobicContact CD2-CE2 4.06Å; Y201-Y251 AromaticContact CD2-CG 3.87Å; Y201-Y251 HydrophobicContact CD2-CG 3.87Å; Y201-Y251 HydrophobicContact CE2-CD2 4.01Å; Y201-Y251 HydrophobicContact CE2-CE1 4.25Å; Y201-Y251 AromaticContact CE2-CE2 3.74Å; Y201-Y251 HydrophobicContact CE2-CE2 3.74Å; Y201-Y251 HydrophobicContact CE2-CG 4.4Å; Y201-Y251 AromaticContact CE2-CZ 3.86Å; Y201-L258 HydrophobicContact CD1-CD2 3.84Å; Y201-L258 HydrophobicContact CD2-CD1 4.18Å; Y201-L258 HydrophobicContact CE1-CD2 4.07Å; Y201-L258 HydrophobicContact CG-CD1 3.99Å; Y201-L258 HydrophobicContact CG-CD2 4.13Å; Y201-I279 VanDerWaalsContact CA-O 3.3Å; Y201-I279 WeakPolarHBondContact CA-O 3.32Å; Y201-A280 HydrophobicContact CD1-CB 3.79Å; Y201-A280 HydrophobicContact CE1-CB 3.64Å |
| 202 | W | 88.3 | Confident | 68.2 | Low | 24 Ų | 24 | 82 Ų | 82 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 173.5 | 169.8 | 67.6 | 97.2 | 0 | 0 | 0 | 111.9 | N200 E204 I279 Q281 | N200-W202 HydrophobicContact CB-CE3 4.14Å; N200-W202 HydrophobicContact CB-CZ3 3.89Å; W202-E204 PolarHBondContact NE1-OE1 2.66Å; W202-I279 HydrophobicContact CD2-CB 4.24Å; W202-I279 HydrophobicContact CD2-CG2 4.24Å; W202-I279 HydrophobicContact CE3-CG2 4.45Å; W202-I279 HydrophobicContact CH2-CG2 3.75Å; W202-I279 HydrophobicContact CZ2-CB 4.22Å; W202-I279 HydrophobicContact CZ2-CD1 4.49Å; W202-I279 HydrophobicContact CZ2-CG2 3.48Å; W202-I279 VanDerWaalsContact CZ2-CG2 3.48Å; W202-I279 HydrophobicContact CZ3-CG2 4.23Å; W202-I279 PolarHBondContact N-O 2.68Å; W202-I279 VanDerWaalsContact N-O 3.08Å; W202-I279 PolarHBondContact O-N 3.21Å; W202-Q281 HydrophobicContact CH2-CB 3.81Å; W202-Q281 HydrophobicContact CH2-CG 4.44Å; W202-Q281 HydrophobicContact CZ3-CB 3.63Å |
| 203 | I | 88.7 | Confident | 66 | Low | 6 Ų | 6 | 85.1 Ų | 85.1 | 3% | 0.031 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.2 | 175.6 | 46.4 | 175.2 | 0 | 0 | 0 | 110.6 | L244 F247 L249 L276 R277 L278 L292 | I203-L244 HydrophobicContact CB-CD2 4.26Å; I203-L244 HydrophobicContact CD1-CB 3.7Å; I203-L244 HydrophobicContact CD1-CD2 4.44Å; I203-L244 HydrophobicContact CG1-CB 3.87Å; I203-L244 HydrophobicContact CG1-CD2 4.27Å; I203-F247 HydrophobicContact CD1-CB 4.2Å; I203-L249 HydrophobicContact CD1-CB 4.15Å; I203-L249 HydrophobicContact CG1-CB 4.17Å; I203-L249 HydrophobicContact CG2-CD1 4.34Å; I203-L249 HydrophobicContact CG2-CD2 4.35Å; I203-L276 HydrophobicContact CD1-CD1 4.29Å; I203-R277 WeakPolarHBondContact CA-O 3.36Å; I203-L278 HydrophobicContact CG2-CB 4.46Å; I203-L278 HydrophobicContact CG2-CD1 3.95Å; I203-L292 HydrophobicContact CG2-CD1 4.08Å |
| 204 | E | 86.8 | Confident | 63.9 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 164 | 171.7 | -73.2 | 173.9 | -167.9 | 0 | 0 | 109.9 | W202 L276 R277 I279 | W202-E204 PolarHBondContact NE1-OE1 2.66Å; E204-L276 CarbonylContact O-C 3.52Å; E204-L276 WeakPolarHBondContact O-CA 3.33Å; E204-R277 PolarHBondContact N-O 2.76Å; E204-R277 PolarHBondContact O-N 2.82Å; E204-I279 HydrophobicContact CB-CD1 4.05Å; E204-I279 HydrophobicContact CG-CD1 3.77Å; E204-I279 VanDerWaalsContact OE2-CD1 3.24Å; E204-I279 WeakPolarHBondContact OE2-CD1 3.07Å |
| 205 | W | 86.7 | Confident | 62 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 144.5 | 169.1 | -69.4 | 112.5 | 0 | 0 | 0 | 109.8 | D207 L244 F247 Y274 L276 | W205-D207 PolarHBondContact O-N 2.88Å; W205-D207 VanDerWaalsContact O-N 3.12Å; W205-L244 HydrophobicContact CD2-CD2 4.11Å; W205-L244 HydrophobicContact CD2-CG 4.33Å; W205-L244 HydrophobicContact CG-CD1 4.38Å; W205-L244 HydrophobicContact CG-CD2 4.18Å; W205-L244 HydrophobicContact CG-CG 4.49Å; W205-L244 HydrophobicContact CZ2-CG 4.25Å; W205-F247 HydrophobicContact CH2-CE2 4.45Å; W205-Y274 AromaticContact CH2-CD1 3.92Å; W205-Y274 HydrophobicContact CH2-CD1 3.92Å; W205-Y274 AromaticContact CZ3-CD1 3.95Å; W205-Y274 HydrophobicContact CZ3-CD1 3.95Å; W205-L276 HydrophobicContact CD2-CD2 4.26Å; W205-L276 HydrophobicContact CE3-CD2 3.42Å; W205-L276 VanDerWaalsContact CE3-CD2 3.42Å; W205-L276 HydrophobicContact CH2-CD2 4.02Å; W205-L276 HydrophobicContact CZ3-CD2 3.28Å |
| 206 | D | 79.1 | Confident | 59.8 | Low | 23 Ų | 23 | 92.4 Ų | 92.4 | 12% | 0.123 | 49% | 0.488 | C | S | . | . | trans | -83.8 | 88.9 | -178.8 | -166.3 | 46.7 | 0 | 0 | 0 | 111.3 | M208 K275 R277 Q291 | D206-M208 VanDerWaalsContact C-N 3.32Å; D206-M208 PolarHBondContact O-N 2.77Å; D206-K275 HydrophobicContact CB-CB 4.06Å; D206-K275 WeakPolarHBondContact CB-O 3.21Å; D206-K275 PolarHBondContact N-O 2.87Å; D206-K275 VanDerWaalsContact N-O 3.08Å; D206-R277 IonicContact OD1-CZ 2.71Å; D206-R277 IonicContact OD1-NE 2.74Å; D206-R277 PolarHBondContact OD1-NE 2.78Å; D206-R277 IonicContact OD1-NH2 3.49Å; D206-R277 PolarHBondContact OD1-NH2 2.73Å; D206-Q291 PolarHBondContact OD2-NE2 3.05Å | ||
| 207 | D | 57 | Low | 57.5 | Low | 143 Ų | 143 | 99.5 Ų | 99.5 | 77% | 0.765 | 52% | 0.52 | S | S | * | . | trans | -61.6 | 84.2 | 179.9 | -82.3 | -25.8 | 0 | 0 | 0 | 112.4 | W205 | W205-D207 PolarHBondContact O-N 2.88Å; W205-D207 VanDerWaalsContact O-N 3.12Å | ||
| 208 | M | 43.1 | Very low | 55.1 | Low | 151 Ų | 151 | 104.5 Ų | 104.5 | 74% | 0.744 | 55% | 0.548 | S | S | * | . | trans | -119.5 | 123.6 | 172.4 | -82.2 | -70.9 | -76.6 | 0 | 0 | 110.3 | D206 | D206-M208 VanDerWaalsContact C-N 3.32Å; D206-M208 PolarHBondContact O-N 2.77Å | ||
| 209 | N | 34.4 | Very low | 52.5 | Low | 157 Ų | 157 | 107.2 Ų | 107.2 | 84% | 0.84 | 57% | 0.568 | S | S | * | * | trans | -57 | 150 | -165 | -67.5 | -79.3 | 0 | 0 | 0 | 115.7 | ||||
| 210 | H | 29.4 | Very low | 50.1 | Low | 201 Ų | 201 | 107 Ų | 107 | 93% | 0.931 | 58% | 0.58 | S | S | * | * | trans | -47.8 | 138.8 | 164.6 | -66 | -78.8 | 0 | 0 | 0 | 112.9 | ||||
| 211 | G | 27.1 | Very low | 47.4 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 74% | 0.742 | 61% | 0.607 | S | S | * | * | trans | 176.5 | 88.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 212 | V | 30.7 | Very low | 44.5 | Very low | 143 Ų | 143 | 119 Ų | 119 | 87% | 0.867 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 173.4 | 120.2 | 136.8 | 151.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 213 | S | 31 | Very low | 41.7 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | trans | 16.3 | 108.2 | 166.3 | 57.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 214 | N | 28.6 | Very low | 38.9 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | 43.1 | 110.4 | 115.9 | -53.6 | -0.9 | 0 | 0 | 0 | 120.6 | |||||
| 215 | N | 32 | Very low | 36 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | -168.2 | 172.3 | 91.6 | -98.2 | -21.8 | 0 | 0 | 0 | 112.8 | |||||
| 216 | L | 28.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 63% | 0.634 | 75% | 0.747 | S | S | * | * | trans | -51.6 | 155.7 | -169.5 | -76 | 59.7 | 0 | 0 | 0 | 114.4 | ||||
| 217 | H | 29.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -126.5 | 133.9 | 20.3 | -93.3 | -90.1 | 0 | 0 | 0 | 115.1 | S219 | H217-S219 PolarHBondContact O-N 2.99Š| ||
| 218 | Q | 26.1 | Very low | 29.5 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -82.5 | 109 | 164.7 | -70.2 | 177.7 | -33.7 | 0 | 0 | 110.6 | ||||
| 219 | S | 26.3 | Very low | 28.9 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -150.4 | 26.4 | 169.3 | 64.1 | 0 | 0 | 0 | 0 | 116.8 | H217 | H217-S219 PolarHBondContact O-N 2.99Š|
| 220 | S | 28.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -147.3 | -30.1 | 173 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | N222 | S220-N222 PolarHBondContact O-N 2.8Š|
| 221 | M | 26.4 | Very low | 29.5 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | trans | -70 | 83.3 | 179.7 | -73.9 | -161.1 | 172.6 | 0 | 0 | 113.6 | ||||
| 222 | N | 27.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -154.9 | 16.9 | 164.4 | -118.6 | -29.8 | 0 | 0 | 0 | 115.6 | S220 | S220-N222 PolarHBondContact O-N 2.8Š|
| 223 | T | 29 | Very low | 31.1 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 80% | 0.798 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -131.8 | 22 | -172.4 | 48.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 224 | L | 28.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -141 | 17.9 | 163.6 | -142.6 | 73.5 | 0 | 0 | 0 | 115.9 | ||
| 225 | S | 26.7 | Very low | 32.9 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -75.3 | 138.9 | 162.5 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 226 | K | 27.5 | Very low | 33.7 | Very low | 201 Ų | 201 | 121.1 Ų | 121.1 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | 69.6 | 65.1 | 179.1 | -50.3 | 171.7 | -176 | 169.8 | 0 | 116.7 | ||||
| 227 | S | 27.9 | Very low | 34.8 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | trans | -130 | 61.6 | 149.1 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | S229 | S227-S229 PolarHBondContact O-N 3.08Š| ||
| 228 | S | 29.7 | Very low | 36.1 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | trans | -73.5 | 58.3 | 172 | 59 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 229 | S | 32 | Very low | 37.6 | Very low | 86 Ų | 86 | 111.3 Ų | 111.3 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | trans | -103.3 | 80 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | S227 S231 | S227-S229 PolarHBondContact O-N 3.08Å; S229-S231 PolarHBondContact O-N 3Å; S229-S231 PolarHBondContact O-OG 3.26Å | ||
| 230 | I | 39.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | trans | -58.6 | 104.5 | 169 | -63.8 | 173.4 | 0 | 0 | 0 | 107.7 | T232 | I230-T232 HydrophobicContact CG2-CG2 3.9Å; I230-T232 PolarHBondContact O-N 2.99Å | ||
| 231 | S | 37.4 | Very low | 41.1 | Very low | 50 Ų | 50 | 107 Ų | 107 | 35% | 0.35 | 61% | 0.606 | S | S | . | * | trans | -98.5 | 69.7 | -178.3 | 34.9 | 0 | 0 | 0 | 0 | 109.5 | S229 I233 | S229-S231 PolarHBondContact O-N 3Å; S229-S231 PolarHBondContact O-OG 3.26Å; S231-I233 PolarHBondContact O-N 2.84Å | ||
| 232 | T | 46.7 | Very low | 43.4 | Very low | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | trans | -70.6 | 72 | 172.9 | 32.5 | 0 | 0 | 0 | 0 | 110.9 | I230 T234 | I230-T232 HydrophobicContact CG2-CG2 3.9Å; I230-T232 PolarHBondContact O-N 2.99Å; T232-T234 PolarHBondContact O-N 2.77Å; T232-T234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | I | 44.8 | Very low | 46 | Very low | 86 Ų | 86 | 95 Ų | 95 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | trans | -75.8 | 100.8 | 176.7 | -53 | -169.9 | 0 | 0 | 0 | 108.8 | S231 H235 W241 | S231-I233 PolarHBondContact O-N 2.84Å; I233-H235 PolarHBondContact O-N 2.87Å; I233-W241 HydrophobicContact CB-CH2 4.19Å; I233-W241 HydrophobicContact CB-CZ2 3.65Å; I233-W241 HydrophobicContact CD1-CH2 3.74Å; I233-W241 HydrophobicContact CD1-CZ2 3.77Å; I233-W241 HydrophobicContact CG1-CH2 3.9Å; I233-W241 HydrophobicContact CG1-CZ2 3.86Å; I233-W241 HydrophobicContact CG2-CZ2 4.44Å | ||
| 234 | T | 47.9 | Very low | 48.6 | Very low | 111 Ų | 111 | 90.2 Ų | 90.2 | 68% | 0.681 | 51% | 0.512 | S | S | * | . | trans | -71 | 94.5 | 175.5 | 39.7 | 0 | 0 | 0 | 0 | 111 | T232 | T232-T234 PolarHBondContact O-N 2.77Å; T232-T234 VanDerWaalsContact O-N 3.12Å | ||
| 235 | H | 48 | Very low | 51.1 | Low | 109 Ų | 109 | 84.7 Ų | 84.7 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 142.5 | 172.6 | -86.1 | -99.5 | 0 | 0 | 0 | 111.8 | I233 N237 W241 | I233-H235 PolarHBondContact O-N 2.87Å; H235-N237 PolarHBondContact O-N 2.82Å; H235-W241 AromaticContact CD2-NE1 3.56Å |
| 236 | T | 48.4 | Very low | 54 | Low | 137 Ų | 137 | 81.1 Ų | 81.1 | 84% | 0.84 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 71.3 | 173.6 | 44 | 0 | 0 | 0 | 0 | 111.7 | ||
| 237 | N | 52.1 | Low | 57 | Low | 143 Ų | 143 | 71.6 Ų | 71.6 | 77% | 0.765 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -169.3 | 20 | 164.8 | -95.4 | -20.7 | 0 | 0 | 0 | 113.6 | H235 Q239 | H235-N237 PolarHBondContact O-N 2.82Å; N237-Q239 VanDerWaalsContact C-N 3.27Å; N237-Q239 PolarHBondContact O-N 3.16Å |
| 238 | G | 57 | Low | 59.9 | Low | 42 Ų | 42 | 71.6 Ų | 71.6 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K253 | G238-K253 PolarHBondContact O-N 2.91Å; G238-K253 VanDerWaalsContact O-N 3.12Å |
| 239 | Q | 57.9 | Low | 62.7 | Low | 94 Ų | 94 | 65.9 Ų | 65.9 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.5 | 170.9 | -59.7 | -169.4 | -28.3 | 0 | 0 | 109.8 | N237 Y251 T252 | N237-Q239 VanDerWaalsContact C-N 3.27Å; N237-Q239 PolarHBondContact O-N 3.16Å; Q239-Y251 WeakPolarHBondContact CA-O 3.43Å; Q239-T252 HydrophobicContact CG-CG2 4.16Å |
| 240 | I | 63.3 | Low | 65.2 | Low | 53 Ų | 53 | 63 Ų | 63 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.2 | 172.2 | -59.2 | 173.2 | 0 | 0 | 0 | 106.5 | Y251 | I240-Y251 PolarHBondContact N-O 2.81Å; I240-Y251 PolarHBondContact O-N 3.05Å |
| 241 | W | 64.9 | Low | 67.2 | Low | 48 Ų | 48 | 59 Ų | 59 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 159.6 | 177.2 | 58.7 | -99.3 | 0 | 0 | 0 | 112.3 | I233 H235 K243 L249 | I233-W241 HydrophobicContact CB-CH2 4.19Å; I233-W241 HydrophobicContact CB-CZ2 3.65Å; I233-W241 HydrophobicContact CD1-CH2 3.74Å; I233-W241 HydrophobicContact CD1-CZ2 3.77Å; I233-W241 HydrophobicContact CG1-CH2 3.9Å; I233-W241 HydrophobicContact CG1-CZ2 3.86Å; I233-W241 HydrophobicContact CG2-CZ2 4.44Å; H235-W241 AromaticContact CD2-NE1 3.56Å; W241-K243 HydrophobicContact CZ3-CB 4.41Å; W241-L249 CarbonylContact C-O 3.58Å; W241-L249 WeakPolarHBondContact CA-O 3.27Å; W241-L249 WeakPolarHBondContact CB-O 3.41Å |
| 242 | S | 74.7 | Confident | 68.9 | Low | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145 | 173 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | R248 L249 | S242-R248 CarbonylContact O-C 3.56Å; S242-L249 PolarHBondContact N-O 2.86Å; S242-L249 PolarHBondContact O-N 2.85Å |
| 243 | K | 81.3 | Confident | 69.8 | Low | 71 Ų | 71 | 60.5 Ų | 60.5 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.4 | 179.3 | -179.3 | 166.7 | -177.7 | 169 | 0 | 110.8 | W241 G245 F247 D263 | W241-K243 HydrophobicContact CZ3-CB 4.41Å; K243-G245 WeakPolarHBondContact CE-O 3.1Å; K243-F247 WeakPolarHBondContact CA-O 3.41Å; K243-F247 WeakPolarHBondContact CG-O 3.5Å; K243-D263 WeakPolarHBondContact CE-OD2 3.44Å; K243-D263 IonicContact NZ-OD2 2.89Å; K243-D263 PolarHBondContact NZ-OD2 2.68Å |
| 244 | L | 84.4 | Confident | 70.7 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 109.2 | 179.6 | -174 | 74.3 | 0 | 0 | 0 | 109.3 | I203 W205 F247 L276 | I203-L244 HydrophobicContact CB-CD2 4.26Å; I203-L244 HydrophobicContact CD1-CB 3.7Å; I203-L244 HydrophobicContact CD1-CD2 4.44Å; I203-L244 HydrophobicContact CG1-CB 3.87Å; I203-L244 HydrophobicContact CG1-CD2 4.27Å; W205-L244 HydrophobicContact CD2-CD2 4.11Å; W205-L244 HydrophobicContact CD2-CG 4.33Å; W205-L244 HydrophobicContact CG-CD1 4.38Å; W205-L244 HydrophobicContact CG-CD2 4.18Å; W205-L244 HydrophobicContact CG-CG 4.49Å; W205-L244 HydrophobicContact CZ2-CG 4.25Å; L244-F247 PolarHBondContact N-O 2.89Å; L244-F247 PolarHBondContact O-N 3.34Å; L244-L276 HydrophobicContact CD2-CD2 4.06Å |
| 245 | G | 82 | Confident | 71.4 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -131.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K243 F247 | K243-G245 WeakPolarHBondContact CE-O 3.1Å; G245-F247 PolarHBondContact O-N 2.84Å |
| 246 | P | 87.7 | Confident | 72.3 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -4.2 | 178.4 | 33.9 | -36.1 | 0 | 0 | 0 | 113.4 | L262 D263 Q264 L266 | P246-L262 HydrophobicContact CB-CD1 4.04Å; P246-D263 WeakPolarHBondContact O-CA 3.27Å; P246-D263 WeakPolarHBondContact O-CB 3.29Å; P246-D263 PolarHBondContact O-N 3.12Å; P246-Q264 HydrophobicContact CB-CB 3.98Å; P246-L266 HydrophobicContact CB-CD2 3.88Å; P246-L266 HydrophobicContact CG-CD2 3.6Å |
| 247 | F | 90.4 | Very high | 73.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | -171.6 | -50.1 | -67.4 | 0 | 0 | 0 | 113.3 | F171 I203 W205 K243 L244 G245 I260 L262 L266 Y274 L276 I294 | F171-F247 HydrophobicContact CD2-CD1 4.47Å; F171-F247 AromaticContact CD2-CE1 3.92Å; F171-F247 HydrophobicContact CD2-CE1 3.92Å; F171-F247 AromaticContact CE2-CD1 3.93Å; F171-F247 HydrophobicContact CE2-CD1 3.93Å; F171-F247 AromaticContact CE2-CE1 3.81Å; F171-F247 HydrophobicContact CE2-CE1 3.81Å; I203-F247 HydrophobicContact CD1-CB 4.2Å; W205-F247 HydrophobicContact CH2-CE2 4.45Å; K243-F247 WeakPolarHBondContact CA-O 3.41Å; K243-F247 WeakPolarHBondContact CG-O 3.5Å; L244-F247 PolarHBondContact N-O 2.89Å; L244-F247 PolarHBondContact O-N 3.34Å; G245-F247 PolarHBondContact O-N 2.84Å; F247-I260 HydrophobicContact CB-CD1 4.06Å; F247-I260 HydrophobicContact CB-CG1 4.25Å; F247-I260 HydrophobicContact CG-CD1 4.42Å; F247-L262 HydrophobicContact CD1-CD1 3.93Å; F247-L262 HydrophobicContact CE1-CD1 3.79Å; F247-L266 HydrophobicContact CE1-CD1 4.32Å; F247-L266 HydrophobicContact CZ-CD2 4.43Å; F247-Y274 AromaticContact CE2-CD1 3.91Å; F247-Y274 HydrophobicContact CE2-CD1 3.91Å; F247-Y274 HydrophobicContact CE2-CD2 4.36Å; F247-Y274 AromaticContact CE2-CG 3.77Å; F247-Y274 HydrophobicContact CE2-CG 3.77Å; F247-Y274 HydrophobicContact CZ-CD1 4.19Å; F247-Y274 AromaticContact CZ-CD2 3.83Å; F247-Y274 HydrophobicContact CZ-CD2 3.83Å; F247-Y274 HydrophobicContact CZ-CE2 4.42Å; F247-Y274 AromaticContact CZ-CG 3.7Å; F247-Y274 HydrophobicContact CZ-CG 3.7Å; F247-L276 HydrophobicContact CB-CD1 4.29Å; F247-L276 HydrophobicContact CD2-CD1 3.7Å; F247-L276 HydrophobicContact CD2-CD2 4.07Å; F247-L276 HydrophobicContact CD2-CG 4.43Å; F247-L276 HydrophobicContact CE2-CD1 4.28Å; F247-L276 HydrophobicContact CE2-CD2 4.16Å; F247-L276 HydrophobicContact CG-CD1 4.07Å; F247-I294 HydrophobicContact CD1-CD1 3.83Å; F247-I294 HydrophobicContact CD2-CD1 4.23Å; F247-I294 HydrophobicContact CE1-CD1 3.62Å; F247-I294 HydrophobicContact CE1-CG2 3.95Å; F247-I294 HydrophobicContact CE2-CD1 4.02Å; F247-I294 HydrophobicContact CG-CD1 4.13Å; F247-I294 HydrophobicContact CZ-CB 4.44Å; F247-I294 HydrophobicContact CZ-CD1 3.72Å; F247-I294 HydrophobicContact CZ-CG2 4.01Å |
| 248 | R | 87.3 | Confident | 75.2 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.4 | 176 | -172.5 | -166.1 | -58 | -145.9 | 0.2 | 110.8 | S242 I250 Q261 D263 | S242-R248 CarbonylContact O-C 3.56Å; R248-I250 HydrophobicContact CG-CG1 4.17Å; R248-Q261 HydrophobicContact CB-CB 4.48Å; R248-Q261 PolarHBondContact N-O 2.84Å; R248-Q261 PolarHBondContact O-N 3.03Å; R248-D263 HydrophobicContact CB-CB 4.37Å; R248-D263 IonicContact CZ-OD1 3.52Å; R248-D263 IonicContact CZ-OD2 2.79Å; R248-D263 IonicContact NE-OD1 3.11Å; R248-D263 PolarHBondContact NE-OD1 2.77Å; R248-D263 IonicContact NE-OD2 3.39Å; R248-D263 PolarHBondContact NE-OD2 2.83Å; R248-D263 IonicContact NH2-OD1 3.36Å; R248-D263 PolarHBondContact NH2-OD1 2.83Å; R248-D263 IonicContact NH2-OD2 3.44Å; R248-D263 PolarHBondContact NH2-OD2 2.73Å |
| 249 | L | 88.8 | Confident | 76.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 133.5 | 169.1 | -170.4 | 76.7 | 0 | 0 | 0 | 110.1 | L184 I203 W241 S242 L258 I259 L278 | L184-L249 HydrophobicContact CD1-CD1 3.5Å; L184-L249 VanDerWaalsContact CD1-CD1 3.5Å; I203-L249 HydrophobicContact CD1-CB 4.15Å; I203-L249 HydrophobicContact CG1-CB 4.17Å; I203-L249 HydrophobicContact CG2-CD1 4.34Å; I203-L249 HydrophobicContact CG2-CD2 4.35Å; W241-L249 CarbonylContact C-O 3.58Å; W241-L249 WeakPolarHBondContact CA-O 3.27Å; W241-L249 WeakPolarHBondContact CB-O 3.41Å; S242-L249 PolarHBondContact N-O 2.86Å; S242-L249 PolarHBondContact O-N 2.85Å; L249-L258 HydrophobicContact CD1-CD1 3.97Å; L249-L258 HydrophobicContact CD1-CG 4.27Å; L249-L258 HydrophobicContact CD2-CD1 4.18Å; L249-L258 HydrophobicContact CG-CD1 4.07Å; L249-I259 CarbonylContact C-O 3.47Å; L249-I259 WeakPolarHBondContact CA-O 3.46Å; L249-L278 HydrophobicContact CD1-CD1 3.82Å; L249-L278 HydrophobicContact CD2-CD1 3.89Å |
| 250 | I | 84.7 | Confident | 78.2 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.6 | 180 | -53.1 | 174.3 | 0 | 0 | 0 | 108.6 | R248 T252 L258 I259 Q261 | R248-I250 HydrophobicContact CG-CG1 4.17Å; I250-T252 HydrophobicContact CG2-CG2 4.15Å; I250-L258 WeakPolarHBondContact O-CA 2.98Å; I250-I259 PolarHBondContact N-O 2.79Å; I250-I259 PolarHBondContact O-N 3.33Å; I250-Q261 HydrophobicContact CD1-CB 4.27Å |
| 251 | Y | 81.5 | Confident | 79.4 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.6 | 173.5 | 176.4 | -126.5 | 0 | 0 | 0 | 110.6 | Y201 Q239 I240 K253 L258 | Y201-Y251 HydrophobicContact CD2-CD1 4.02Å; Y201-Y251 AromaticContact CD2-CD2 3.89Å; Y201-Y251 HydrophobicContact CD2-CD2 3.89Å; Y201-Y251 HydrophobicContact CD2-CE1 4.16Å; Y201-Y251 HydrophobicContact CD2-CE2 4.06Å; Y201-Y251 AromaticContact CD2-CG 3.87Å; Y201-Y251 HydrophobicContact CD2-CG 3.87Å; Y201-Y251 HydrophobicContact CE2-CD2 4.01Å; Y201-Y251 HydrophobicContact CE2-CE1 4.25Å; Y201-Y251 AromaticContact CE2-CE2 3.74Å; Y201-Y251 HydrophobicContact CE2-CE2 3.74Å; Y201-Y251 HydrophobicContact CE2-CG 4.4Å; Y201-Y251 AromaticContact CE2-CZ 3.86Å; Q239-Y251 WeakPolarHBondContact CA-O 3.43Å; I240-Y251 PolarHBondContact N-O 2.81Å; I240-Y251 PolarHBondContact O-N 3.05Å; Y251-K253 HydrophobicContact CE1-CB 4.43Å; Y251-L258 HydrophobicContact CD2-CB 4.43Å; Y251-L258 HydrophobicContact CD2-CD1 4.12Å; Y251-L258 HydrophobicContact CG-CD1 4.32Å |
| 252 | T | 72.6 | Confident | 80.6 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 98.9 | -173.7 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | Q239 I250 S254 I255 E256 N257 | Q239-T252 HydrophobicContact CG-CG2 4.16Å; I250-T252 HydrophobicContact CG2-CG2 4.15Å; T252-S254 PolarHBondContact O-N 2.95Å; T252-S254 VanDerWaalsContact O-N 3.08Å; T252-I255 PolarHBondContact O-N 2.86Å; T252-E256 WeakPolarHBondContact O-CA 2.93Å; T252-E256 PolarHBondContact O-N 3.35Å; T252-N257 PolarHBondContact N-O 3.03Å; T252-N257 PolarHBondContact OG1-N 2.89Å; T252-N257 PolarHBondContact OG1-O 3Å |
| 253 | K | 67.2 | Low | 81 | Confident | 155 Ų | 155 | 43.3 Ų | 43.3 | 67% | 0.674 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.4 | -172.7 | -168.7 | 167.8 | -178.4 | 174.3 | 0 | 114.2 | G238 Y251 | G238-K253 PolarHBondContact O-N 2.91Å; G238-K253 VanDerWaalsContact O-N 3.12Å; Y251-K253 HydrophobicContact CE1-CB 4.43Å |
| 254 | S | 62.8 | Low | 81.2 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 69% | 0.692 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -17.2 | -179.9 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | T252 | T252-S254 PolarHBondContact O-N 2.95Å; T252-S254 VanDerWaalsContact O-N 3.08Å |
| 255 | I | 63.5 | Low | 81.2 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 61% | 0.605 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -14.2 | 179 | -47.7 | 179.6 | 0 | 0 | 0 | 110.1 | T252 N257 | T252-I255 PolarHBondContact O-N 2.86Å; I255-N257 PolarHBondContact O-N 2.92Å; I255-N257 PolarHBondContact O-OD1 2.87Å |
| 256 | E | 66.9 | Low | 81.4 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | trans | 63 | 17.6 | -173.1 | -58.7 | -150.3 | 123.4 | 0 | 0 | 115 | R186 T252 | R186-E256 WeakPolarHBondContact CD-O 3.38Å; R186-E256 IonicContact CZ-OE1 2.91Å; R186-E256 IonicContact CZ-OE2 3.03Å; R186-E256 IonicContact NH1-OE1 3.69Å; R186-E256 IonicContact NH1-OE2 3.76Å; R186-E256 PolarHBondContact NH1-OE2 3.47Å; R186-E256 IonicContact NH2-OE1 3.09Å; R186-E256 PolarHBondContact NH2-OE1 2.9Å; R186-E256 IonicContact NH2-OE2 3.1Å; R186-E256 PolarHBondContact NH2-OE2 2.61Å; T252-E256 WeakPolarHBondContact O-CA 2.93Å; T252-E256 PolarHBondContact O-N 3.35Å | ||
| 257 | N | 75 | Confident | 81.1 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 33% | 0.326 | 25% | 0.25 | S | C | . | . | trans | -84.2 | 142.6 | 172 | -76.1 | 47.1 | 0 | 0 | 0 | 112.1 | D183 T252 I255 I259 | D183-N257 PolarHBondContact OD1-ND2 2.96Å; D183-N257 VanDerWaalsContact OD1-ND2 3.16Å; T252-N257 PolarHBondContact N-O 3.03Å; T252-N257 PolarHBondContact OG1-N 2.89Å; T252-N257 PolarHBondContact OG1-O 3Å; I255-N257 PolarHBondContact O-N 2.92Å; I255-N257 PolarHBondContact O-OD1 2.87Å; N257-I259 HydrophobicContact CB-CD1 4.29Å; N257-I259 HydrophobicContact CB-CG1 4.19Å | ||
| 258 | L | 85.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.2 | 169.2 | -177.7 | 67.7 | 0 | 0 | 0 | 107.2 | L184 R186 Y201 L249 I250 Y251 L278 | L184-L258 HydrophobicContact CB-CB 4.44Å; L184-L258 HydrophobicContact CB-CD2 4.1Å; L184-L258 HydrophobicContact CB-CG 4.06Å; L184-L258 PolarHBondContact N-O 2.81Å; R186-L258 HydrophobicContact CG-CB 4.37Å; Y201-L258 HydrophobicContact CD1-CD2 3.84Å; Y201-L258 HydrophobicContact CD2-CD1 4.18Å; Y201-L258 HydrophobicContact CE1-CD2 4.07Å; Y201-L258 HydrophobicContact CG-CD1 3.99Å; Y201-L258 HydrophobicContact CG-CD2 4.13Å; L249-L258 HydrophobicContact CD1-CD1 3.97Å; L249-L258 HydrophobicContact CD1-CG 4.27Å; L249-L258 HydrophobicContact CD2-CD1 4.18Å; L249-L258 HydrophobicContact CG-CD1 4.07Å; I250-L258 WeakPolarHBondContact O-CA 2.98Å; Y251-L258 HydrophobicContact CD2-CB 4.43Å; Y251-L258 HydrophobicContact CD2-CD1 4.12Å; Y251-L258 HydrophobicContact CG-CD1 4.32Å; L258-L278 HydrophobicContact CD2-CD1 4.34Å; L258-L278 HydrophobicContact CD2-CD2 4.12Å |
| 259 | I | 88 | Confident | 80.2 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.4 | -168.1 | -48.7 | -175.8 | 0 | 0 | 0 | 109.3 | K181 H182 D183 L249 I250 N257 | K181-I259 HydrophobicContact CB-CG2 3.91Å; K181-I259 HydrophobicContact CD-CG2 4.36Å; K181-I259 HydrophobicContact CG-CG2 4.15Å; H182-I259 WeakPolarHBondContact O-CA 3.24Å; H182-I259 WeakPolarHBondContact O-CG2 3.34Å; D183-I259 WeakPolarHBondContact OD1-CG1 3.2Å; L249-I259 CarbonylContact C-O 3.47Å; L249-I259 WeakPolarHBondContact CA-O 3.46Å; I250-I259 PolarHBondContact N-O 2.79Å; I250-I259 PolarHBondContact O-N 3.33Å; N257-I259 HydrophobicContact CB-CD1 4.29Å; N257-I259 HydrophobicContact CB-CG1 4.19Å |
| 260 | I | 89.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.3 | 164.9 | -171.9 | 167.5 | 0 | 0 | 0 | 109.7 | L169 K181 H182 L184 F247 L276 L292 I294 | L169-I260 HydrophobicContact CD1-CG2 3.58Å; K181-I260 WeakPolarHBondContact CA-O 3.14Å; H182-I260 HydrophobicContact CB-CG2 4.03Å; H182-I260 PolarHBondContact N-O 2.89Å; H182-I260 PolarHBondContact O-N 2.83Å; L184-I260 HydrophobicContact CD1-CB 3.81Å; L184-I260 HydrophobicContact CD1-CG2 3.91Å; L184-I260 HydrophobicContact CD2-CG2 4.33Å; L184-I260 HydrophobicContact CG-CB 4.45Å; L184-I260 HydrophobicContact CG-CG2 4.04Å; F247-I260 HydrophobicContact CB-CD1 4.06Å; F247-I260 HydrophobicContact CB-CG1 4.25Å; F247-I260 HydrophobicContact CG-CD1 4.42Å; I260-L276 HydrophobicContact CD1-CD1 4.02Å; I260-L292 HydrophobicContact CD1-CD1 3.94Å; I260-I294 HydrophobicContact CD1-CD1 3.99Å |
| 261 | Q | 89.3 | Confident | 79.2 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140 | 178.9 | 176.4 | 178.5 | -32.2 | 0 | 0 | 110 | N179 T180 K181 R248 I250 | N179-Q261 PolarHBondContact OD1-NE2 3Å; T180-Q261 WeakPolarHBondContact O-CA 3.32Å; K181-Q261 HydrophobicContact CG-CB 3.94Å; K181-Q261 HydrophobicContact CG-CG 4.02Å; R248-Q261 HydrophobicContact CB-CB 4.48Å; R248-Q261 PolarHBondContact N-O 2.84Å; R248-Q261 PolarHBondContact O-N 3.03Å; I250-Q261 HydrophobicContact CD1-CB 4.27Å |
| 262 | L | 88.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.3 | 167.5 | -171.2 | 63.6 | 0 | 0 | 0 | 111 | F171 G177 N179 T180 P246 F247 Q264 L266 | F171-L262 HydrophobicContact CB-CD2 4.15Å; F171-L262 HydrophobicContact CD1-CB 4.33Å; F171-L262 HydrophobicContact CD2-CD1 4.44Å; F171-L262 HydrophobicContact CE1-CB 4.22Å; F171-L262 HydrophobicContact CE2-CB 4.45Å; F171-L262 HydrophobicContact CG-CB 4.48Å; F171-L262 HydrophobicContact CG-CD2 4.27Å; F171-L262 HydrophobicContact CZ-CB 4.28Å; G177-L262 VanDerWaalsContact C-CD2 3.46Å; G177-L262 VanDerWaalsContact O-CD2 3.29Å; G177-L262 WeakPolarHBondContact O-CD2 3.42Å; N179-L262 VanDerWaalsContact CA-O 3.32Å; N179-L262 WeakPolarHBondContact CA-O 3.2Å; N179-L262 PolarHBondContact N-O 2.71Å; T180-L262 PolarHBondContact O-N 3.08Å; P246-L262 HydrophobicContact CB-CD1 4.04Å; F247-L262 HydrophobicContact CD1-CD1 3.93Å; F247-L262 HydrophobicContact CE1-CD1 3.79Å; L262-Q264 WeakPolarHBondContact CD1-O 3.35Å; L262-Q264 VanDerWaalsContact CG-O 3.26Å; L262-Q264 WeakPolarHBondContact CG-O 3.26Å; L262-L266 HydrophobicContact CD1-CD1 3.88Å; L262-L266 HydrophobicContact CD1-CD2 3.92Å; L262-L266 HydrophobicContact CD1-CG 3.78Å; L262-L266 HydrophobicContact CD2-CD1 4.04Å; L262-L266 HydrophobicContact CD2-CG 3.96Å |
| 263 | D | 84.4 | Confident | 79.7 | Confident | 31 Ų | 31 | 68 Ų | 68 | 17% | 0.166 | 33% | 0.333 | C | S | . | . | trans | -117.6 | -10.2 | -164 | -140 | 59.9 | 0 | 0 | 0 | 113.5 | K243 P246 R248 | K243-D263 WeakPolarHBondContact CE-OD2 3.44Å; K243-D263 IonicContact NZ-OD2 2.89Å; K243-D263 PolarHBondContact NZ-OD2 2.68Å; P246-D263 WeakPolarHBondContact O-CA 3.27Å; P246-D263 WeakPolarHBondContact O-CB 3.29Å; P246-D263 PolarHBondContact O-N 3.12Å; R248-D263 HydrophobicContact CB-CB 4.37Å; R248-D263 IonicContact CZ-OD1 3.52Å; R248-D263 IonicContact CZ-OD2 2.79Å; R248-D263 IonicContact NE-OD1 3.11Å; R248-D263 PolarHBondContact NE-OD1 2.77Å; R248-D263 IonicContact NE-OD2 3.39Å; R248-D263 PolarHBondContact NE-OD2 2.83Å; R248-D263 IonicContact NH2-OD1 3.36Å; R248-D263 PolarHBondContact NH2-OD1 2.83Å; R248-D263 IonicContact NH2-OD2 3.44Å; R248-D263 PolarHBondContact NH2-OD2 2.73Å | ||
| 264 | Q | 85.3 | Confident | 80.6 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -148.2 | 160.8 | 177.8 | -65 | 177 | -97.6 | 0 | 0 | 108 | P246 L262 | P246-Q264 HydrophobicContact CB-CB 3.98Å; L262-Q264 WeakPolarHBondContact CD1-O 3.35Å; L262-Q264 VanDerWaalsContact CG-O 3.26Å; L262-Q264 WeakPolarHBondContact CG-O 3.26Å |
| 265 | E | 83.8 | Confident | 81.7 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 30% | 0.297 | S | S | * | . | trans | -63.8 | 148.1 | 175 | -65 | 170.3 | 154 | 0 | 0 | 110.2 | S175 V178 | S175-E265 WeakPolarHBondContact CA-OE1 3.36Å; S175-E265 WeakPolarHBondContact CB-OE1 3.06Å; V178-E265 HydrophobicContact CG2-CB 4.28Å; V178-E265 HydrophobicContact CG2-CG 3.29Å | ||
| 266 | L | 86.3 | Confident | 82.9 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | trans | -109.1 | 156.7 | 169.5 | -59.8 | -179.4 | 0 | 0 | 0 | 108.6 | F171 G174 P246 F247 L262 Y274 V296 | F171-L266 HydrophobicContact CB-CD1 4.01Å; F171-L266 HydrophobicContact CD2-CD1 4.36Å; G174-L266 PolarHBondContact N-O 2.91Å; P246-L266 HydrophobicContact CB-CD2 3.88Å; P246-L266 HydrophobicContact CG-CD2 3.6Å; F247-L266 HydrophobicContact CE1-CD1 4.32Å; F247-L266 HydrophobicContact CZ-CD2 4.43Å; L262-L266 HydrophobicContact CD1-CD1 3.88Å; L262-L266 HydrophobicContact CD1-CD2 3.92Å; L262-L266 HydrophobicContact CD1-CG 3.78Å; L262-L266 HydrophobicContact CD2-CD1 4.04Å; L262-L266 HydrophobicContact CD2-CG 3.96Å; L266-Y274 HydrophobicContact CD1-CE2 4.33Å; L266-Y274 HydrophobicContact CD2-CE2 3.87Å; L266-V296 HydrophobicContact CB-CG1 4.26Å; L266-V296 HydrophobicContact CB-CG2 4.46Å; L266-V296 HydrophobicContact CD1-CG2 4Å | ||
| 267 | D | 82.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | trans | -136.5 | 117.2 | -177.9 | 176.6 | -42.6 | 0 | 0 | 0 | 105.4 | E269 E270 Q271 | D267-E269 WeakPolarHBondContact OD1-CB 3.33Å; D267-E269 PolarHBondContact OD1-N 2.75Å; D267-E270 HydrophobicContact CB-CB 4.19Å; D267-E270 HydrophobicContact CB-CG 4.45Å; D267-E270 PolarHBondContact OD1-N 3.48Å; D267-Q271 PolarHBondContact O-N 2.83Å | ||
| 268 | R | 82.1 | Confident | 84.5 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78.4 | -32.8 | -173.3 | -169.1 | -171.9 | 93.8 | -78.3 | -16.9 | 111.2 | E173 E270 Q271 F272 V296 D298 Y355 | E173-R268 VanDerWaalsContact CD-CB 3.5Å; E173-R268 WeakPolarHBondContact OE1-CB 3.26Å; E173-R268 IonicContact OE1-CZ 2.7Å; E173-R268 IonicContact OE1-NE 3.91Å; E173-R268 IonicContact OE1-NH1 3.21Å; E173-R268 PolarHBondContact OE1-NH1 2.68Å; E173-R268 WeakPolarHBondContact OE2-CB 3.47Å; E173-R268 PolarHBondContact OE2-N 3.25Å; E173-R268 IonicContact OE2-NH1 3.98Å; R268-E270 VanDerWaalsContact C-N 3.35Å; R268-Q271 PolarHBondContact O-N 3.23Å; R268-F272 HydrophobicContact CG-CB 3.81Å; R268-F272 PolarHBondContact O-N 3.39Å; R268-V296 HydrophobicContact CB-CB 4.28Å; R268-V296 HydrophobicContact CB-CG1 3.82Å; R268-V296 HydrophobicContact CG-CB 4.15Å; R268-V296 HydrophobicContact CG-CG1 4.16Å; R268-D298 IonicContact CZ-OD1 3.17Å; R268-D298 IonicContact NE-OD1 3.42Å; R268-D298 PolarHBondContact NE-OD1 3.49Å; R268-D298 IonicContact NH1-OD1 3.78Å; R268-D298 PolarHBondContact NH1-OD1 3.42Å; R268-D298 IonicContact NH2-OD1 2.78Å; R268-Y355 PolarHBondContact NH2-O 3.43Å |
| 269 | E | 75.5 | Confident | 84.7 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 171.6 | -83.4 | 43.1 | -96.5 | 0 | 0 | 111.8 | D267 F302 | D267-E269 WeakPolarHBondContact OD1-CB 3.33Å; D267-E269 PolarHBondContact OD1-N 2.75Å; E269-F302 HydrophobicContact CG-CD2 4.48Å; E269-F302 HydrophobicContact CG-CE2 4Å; E269-F302 WeakPolarHBondContact OE2-CE2 3.42Å |
| 270 | E | 75.2 | Confident | 84.7 | Confident | 161 Ų | 161 | 51.6 Ų | 51.6 | 75% | 0.752 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -73.5 | -49.3 | 171.5 | -76.9 | -154.6 | 158.3 | 0 | 0 | 112 | D267 R268 | D267-E270 HydrophobicContact CB-CB 4.19Å; D267-E270 HydrophobicContact CB-CG 4.45Å; D267-E270 PolarHBondContact OD1-N 3.48Å; R268-E270 VanDerWaalsContact C-N 3.35Å |
| 271 | Q | 78.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -158.1 | 81.8 | -172.2 | -172 | 67.3 | 30.9 | 0 | 0 | 114.3 | D267 R268 I273 Y274 | D267-Q271 PolarHBondContact O-N 2.83Å; R268-Q271 PolarHBondContact O-N 3.23Å; Q271-I273 PolarHBondContact NE2-O 2.89Å; Q271-I273 PolarHBondContact O-N 2.82Å; Q271-Y274 HydrophobicContact CB-CE1 4.4Å; Q271-Y274 HydrophobicContact CB-CE2 4.31Å; Q271-Y274 HydrophobicContact CG-CD1 4.23Å; Q271-Y274 HydrophobicContact CG-CD2 4.48Å; Q271-Y274 HydrophobicContact CG-CE1 3.77Å; Q271-Y274 HydrophobicContact CG-CE2 4.02Å; Q271-Y274 VanDerWaalsContact O-CE2 3.24Å; Q271-Y274 WeakPolarHBondContact O-CE2 3.5Å |
| 272 | F | 78.9 | Confident | 84.5 | Confident | 135 Ų | 135 | 51.7 Ų | 51.7 | 59% | 0.592 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -56 | -12.2 | 176.6 | 71.3 | -86.5 | 0 | 0 | 0 | 118 | R268 V296 | R268-F272 HydrophobicContact CG-CB 3.81Å; R268-F272 PolarHBondContact O-N 3.39Å; F272-V296 PolarHBondContact O-N 2.71Å; F272-V296 VanDerWaalsContact O-N 3.08Å |
| 273 | I | 85.2 | Confident | 84 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.195 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 132.4 | -177 | -166.8 | 172.5 | 0 | 0 | 0 | 113.7 | Q271 I293 I294 E295 | Q271-I273 PolarHBondContact NE2-O 2.89Å; Q271-I273 PolarHBondContact O-N 2.82Å; I273-I293 HydrophobicContact CD1-CG2 3.96Å; I273-I293 HydrophobicContact CG1-CG2 4.26Å; I273-I294 CarbonylContact C-O 3.53Å; I273-I294 WeakPolarHBondContact CA-O 3.46Å; I273-E295 HydrophobicContact CD1-CG 4.45Å; I273-E295 HydrophobicContact CG1-CG 4.43Å |
| 274 | Y | 86.4 | Confident | 83.8 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.8 | 174.7 | -60.9 | -96.9 | 0 | 0 | 0 | 111 | W205 F247 L266 Q271 I294 V296 | W205-Y274 AromaticContact CH2-CD1 3.92Å; W205-Y274 HydrophobicContact CH2-CD1 3.92Å; W205-Y274 AromaticContact CZ3-CD1 3.95Å; W205-Y274 HydrophobicContact CZ3-CD1 3.95Å; F247-Y274 AromaticContact CE2-CD1 3.91Å; F247-Y274 HydrophobicContact CE2-CD1 3.91Å; F247-Y274 HydrophobicContact CE2-CD2 4.36Å; F247-Y274 AromaticContact CE2-CG 3.77Å; F247-Y274 HydrophobicContact CE2-CG 3.77Å; F247-Y274 HydrophobicContact CZ-CD1 4.19Å; F247-Y274 AromaticContact CZ-CD2 3.83Å; F247-Y274 HydrophobicContact CZ-CD2 3.83Å; F247-Y274 HydrophobicContact CZ-CE2 4.42Å; F247-Y274 AromaticContact CZ-CG 3.7Å; F247-Y274 HydrophobicContact CZ-CG 3.7Å; L266-Y274 HydrophobicContact CD1-CE2 4.33Å; L266-Y274 HydrophobicContact CD2-CE2 3.87Å; Q271-Y274 HydrophobicContact CB-CE1 4.4Å; Q271-Y274 HydrophobicContact CB-CE2 4.31Å; Q271-Y274 HydrophobicContact CG-CD1 4.23Å; Q271-Y274 HydrophobicContact CG-CD2 4.48Å; Q271-Y274 HydrophobicContact CG-CE1 3.77Å; Q271-Y274 HydrophobicContact CG-CE2 4.02Å; Q271-Y274 VanDerWaalsContact O-CE2 3.24Å; Q271-Y274 WeakPolarHBondContact O-CE2 3.5Å; Y274-I294 PolarHBondContact N-O 2.87Å; Y274-I294 PolarHBondContact O-N 3Å; Y274-V296 HydrophobicContact CD2-CG2 4.19Å; Y274-V296 HydrophobicContact CE2-CG2 3.91Å |
| 275 | K | 85 | Confident | 83.6 | Confident | 104 Ų | 104 | 53.3 Ų | 53.3 | 45% | 0.452 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.4 | 179.9 | -65.5 | 179.6 | -178.4 | 172.4 | 0 | 110.3 | D206 | D206-K275 HydrophobicContact CB-CB 4.06Å; D206-K275 WeakPolarHBondContact CB-O 3.21Å; D206-K275 PolarHBondContact N-O 2.87Å; D206-K275 VanDerWaalsContact N-O 3.08Å |
| 276 | L | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 168.5 | 177.7 | -36.1 | -178.6 | 0 | 0 | 0 | 110 | I203 E204 W205 L244 F247 I260 L292 I294 | I203-L276 HydrophobicContact CD1-CD1 4.29Å; E204-L276 CarbonylContact O-C 3.52Å; E204-L276 WeakPolarHBondContact O-CA 3.33Å; W205-L276 HydrophobicContact CD2-CD2 4.26Å; W205-L276 HydrophobicContact CE3-CD2 3.42Å; W205-L276 VanDerWaalsContact CE3-CD2 3.42Å; W205-L276 HydrophobicContact CH2-CD2 4.02Å; W205-L276 HydrophobicContact CZ3-CD2 3.28Å; L244-L276 HydrophobicContact CD2-CD2 4.06Å; F247-L276 HydrophobicContact CB-CD1 4.29Å; F247-L276 HydrophobicContact CD2-CD1 3.7Å; F247-L276 HydrophobicContact CD2-CD2 4.07Å; F247-L276 HydrophobicContact CD2-CG 4.43Å; F247-L276 HydrophobicContact CE2-CD1 4.28Å; F247-L276 HydrophobicContact CE2-CD2 4.16Å; F247-L276 HydrophobicContact CG-CD1 4.07Å; I260-L276 HydrophobicContact CD1-CD1 4.02Å; L276-L292 HydrophobicContact CB-CB 4.13Å; L276-L292 HydrophobicContact CD1-CD1 4.41Å; L276-L292 PolarHBondContact N-O 3.29Å; L276-L292 PolarHBondContact O-N 2.88Å; L276-I294 HydrophobicContact CD1-CD1 3.61Å; L276-I294 HydrophobicContact CG-CD1 4.05Å |
| 277 | R | 88.2 | Confident | 84 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 113.4 | 171.1 | -164.1 | -179.6 | -63 | 162.3 | -0.3 | 108.8 | I203 E204 D206 I279 | I203-R277 WeakPolarHBondContact CA-O 3.36Å; E204-R277 PolarHBondContact N-O 2.76Å; E204-R277 PolarHBondContact O-N 2.82Å; D206-R277 IonicContact OD1-CZ 2.71Å; D206-R277 IonicContact OD1-NE 2.74Å; D206-R277 PolarHBondContact OD1-NE 2.78Å; D206-R277 IonicContact OD1-NH2 3.49Å; D206-R277 PolarHBondContact OD1-NH2 2.73Å; R277-I279 HydrophobicContact CG-CG1 4.32Å |
| 278 | L | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.2 | 170.8 | 178.9 | 67.8 | 0 | 0 | 0 | 108.3 | F152 L184 I203 L249 L258 S289 I290 L292 | F152-L278 HydrophobicContact CD1-CD2 4.29Å; F152-L278 HydrophobicContact CE1-CD2 3.53Å; F152-L278 HydrophobicContact CE1-CG 4.02Å; F152-L278 HydrophobicContact CZ-CD2 3.87Å; F152-L278 HydrophobicContact CZ-CG 3.81Å; L184-L278 HydrophobicContact CB-CD2 4.37Å; L184-L278 HydrophobicContact CD1-CD1 4.34Å; L184-L278 HydrophobicContact CD1-CD2 4.15Å; I203-L278 HydrophobicContact CG2-CB 4.46Å; I203-L278 HydrophobicContact CG2-CD1 3.95Å; L249-L278 HydrophobicContact CD1-CD1 3.82Å; L249-L278 HydrophobicContact CD2-CD1 3.89Å; L258-L278 HydrophobicContact CD2-CD1 4.34Å; L258-L278 HydrophobicContact CD2-CD2 4.12Å; L278-S289 CarbonylContact O-C 3.54Å; L278-S289 WeakPolarHBondContact O-CA 3.12Å; L278-I290 HydrophobicContact CB-CG2 3.9Å; L278-I290 HydrophobicContact CD2-CG2 3.95Å; L278-I290 HydrophobicContact CG-CG2 4.32Å; L278-I290 PolarHBondContact N-O 2.99Å; L278-I290 PolarHBondContact O-N 3.32Å; L278-L292 HydrophobicContact CB-CD1 4.13Å; L278-L292 HydrophobicContact CB-CD2 4.08Å; L278-L292 HydrophobicContact CB-CG 3.99Å; L278-L292 HydrophobicContact CD2-CD2 4.45Å |
| 279 | I | 89.1 | Confident | 84.5 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.4 | -175.4 | -63.6 | 164.2 | 0 | 0 | 0 | 109.1 | Y201 W202 E204 R277 G288 | Y201-I279 VanDerWaalsContact CA-O 3.3Å; Y201-I279 WeakPolarHBondContact CA-O 3.32Å; W202-I279 HydrophobicContact CD2-CB 4.24Å; W202-I279 HydrophobicContact CD2-CG2 4.24Å; W202-I279 HydrophobicContact CE3-CG2 4.45Å; W202-I279 HydrophobicContact CH2-CG2 3.75Å; W202-I279 HydrophobicContact CZ2-CB 4.22Å; W202-I279 HydrophobicContact CZ2-CD1 4.49Å; W202-I279 HydrophobicContact CZ2-CG2 3.48Å; W202-I279 VanDerWaalsContact CZ2-CG2 3.48Å; W202-I279 HydrophobicContact CZ3-CG2 4.23Å; W202-I279 PolarHBondContact N-O 2.68Å; W202-I279 VanDerWaalsContact N-O 3.08Å; W202-I279 PolarHBondContact O-N 3.21Å; E204-I279 HydrophobicContact CB-CD1 4.05Å; E204-I279 HydrophobicContact CG-CD1 3.77Å; E204-I279 VanDerWaalsContact OE2-CD1 3.24Å; E204-I279 WeakPolarHBondContact OE2-CD1 3.07Å; R277-I279 HydrophobicContact CG-CG1 4.32Å; I279-G288 WeakPolarHBondContact CA-O 3.33Å |
| 280 | A | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P150 F152 A187 V198 N200 Y201 R287 G288 | P150-A280 HydrophobicContact CB-CB 4.03Å; F152-A280 HydrophobicContact CE2-CB 3.8Å; F152-A280 HydrophobicContact CZ-CB 3.59Å; A187-A280 HydrophobicContact CB-CB 3.41Å; A187-A280 VanDerWaalsContact CB-CB 3.41Å; V198-A280 HydrophobicContact CG1-CB 3.94Å; N200-A280 WeakPolarHBondContact O-CA 3.39Å; Y201-A280 HydrophobicContact CD1-CB 3.79Å; Y201-A280 HydrophobicContact CE1-CB 3.64Å; A280-R287 CarbonylContact O-C 3.47Å; A280-R287 VanDerWaalsContact O-CA 3.26Å; A280-R287 WeakPolarHBondContact O-CA 3.09Å; A280-G288 PolarHBondContact N-O 3.21Å; A280-G288 PolarHBondContact O-N 3.48Å |
| 281 | Q | 88 | Confident | 85.5 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.7 | 176.7 | -179 | -172.7 | 18.9 | 0 | 0 | 109.4 | K199 N200 W202 D285 L286 R287 | K199-Q281 WeakPolarHBondContact CB-O 3.38Å; K199-Q281 PolarHBondContact N-O 2.73Å; N200-Q281 HydrophobicContact CB-CB 4.29Å; N200-Q281 PolarHBondContact N-O 2.81Å; N200-Q281 PolarHBondContact ND2-OE1 3.33Å; N200-Q281 PolarHBondContact O-N 2.85Å; W202-Q281 HydrophobicContact CH2-CB 3.81Å; W202-Q281 HydrophobicContact CH2-CG 4.44Å; W202-Q281 HydrophobicContact CZ3-CB 3.63Å; Q281-D285 PolarHBondContact NE2-OD1 3.29Å; Q281-L286 WeakPolarHBondContact CA-O 3.37Å; Q281-R287 HydrophobicContact CB-CG 4.46Å; Q281-R287 HydrophobicContact CG-CG 4.48Å |
| 282 | D | 85.7 | Confident | 86 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -85.1 | -159.1 | -175.7 | 75 | -18.9 | 0 | 0 | 0 | 112.9 | N146 P150 N196 K199 G284 D285 L286 | N146-D282 PolarHBondContact ND2-OD2 3.17Å; P150-D282 HydrophobicContact CG-CB 3.73Å; N196-D282 VanDerWaalsContact O-CB 3.32Å; N196-D282 WeakPolarHBondContact O-CB 3.43Å; K199-D282 VanDerWaalsContact CB-O 3.26Å; K199-D282 WeakPolarHBondContact CB-O 3.39Å; K199-D282 WeakPolarHBondContact CD-O 3.34Å; D282-G284 VanDerWaalsContact CG-N 3.3Å; D282-G284 PolarHBondContact OD1-N 3.08Å; D282-G284 VanDerWaalsContact OD1-N 3.1Å; D282-G284 PolarHBondContact OD2-N 2.89Å; D282-D285 VanDerWaalsContact OD1-C 3.31Å; D282-D285 WeakPolarHBondContact OD1-CA 3.24Å; D282-D285 PolarHBondContact OD1-N 2.74Å; D282-L286 PolarHBondContact N-O 2.61Å; D282-L286 PolarHBondContact OD1-N 3.07Å; D282-L286 VanDerWaalsContact OD1-O 3.06Å; D282-L286 WeakPolarHBondContact OD2-CB 3.35Å; D282-L286 WeakPolarHBondContact OD2-CG 3.28Å; D282-L286 PolarHBondContact OD2-N 2.85Å; D282-L286 VanDerWaalsContact OD2-N 3.17Å | ||
| 283 | G | 79.2 | Confident | 86.3 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.9 | -40.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I195 N196 K199 | I195-G283 VanDerWaalsContact O-CA 3.24Å; I195-G283 WeakPolarHBondContact O-CA 3.06Å; N196-G283 PolarHBondContact O-N 2.85Å; K199-G283 PolarHBondContact NZ-O 3.47Å |
| 284 | G | 79.4 | Confident | 86.4 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -98.3 | 11.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117 | N146 D282 | N146-G284 VanDerWaalsContact OD1-CA 3.29Å; N146-G284 WeakPolarHBondContact OD1-CA 3.24Å; N146-G284 PolarHBondContact OD1-N 2.86Å; D282-G284 VanDerWaalsContact CG-N 3.3Å; D282-G284 PolarHBondContact OD1-N 3.08Å; D282-G284 VanDerWaalsContact OD1-N 3.1Å; D282-G284 PolarHBondContact OD2-N 2.89Å |
| 285 | D | 82.9 | Confident | 86.3 | Confident | 106 Ų | 106 | 39.2 Ų | 39.2 | 57% | 0.567 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 74.4 | 14.4 | -176.4 | -60.3 | -41.6 | 0 | 0 | 0 | 117 | Q281 D282 | Q281-D285 PolarHBondContact NE2-OD1 3.29Å; D282-D285 VanDerWaalsContact OD1-C 3.31Å; D282-D285 WeakPolarHBondContact OD1-CA 3.24Å; D282-D285 PolarHBondContact OD1-N 2.74Å |
| 286 | L | 86.7 | Confident | 86.3 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | trans | -69.6 | 155.8 | 162.2 | -52.3 | -178.1 | 0 | 0 | 0 | 111.1 | N146 N148 P149 Q281 D282 | N146-L286 WeakPolarHBondContact ND2-CD1 3.27Å; N148-L286 WeakPolarHBondContact O-CD1 3.18Å; P149-L286 HydrophobicContact CB-CB 4.08Å; P149-L286 HydrophobicContact CB-CD1 4.4Å; Q281-L286 WeakPolarHBondContact CA-O 3.37Å; D282-L286 PolarHBondContact N-O 2.61Å; D282-L286 PolarHBondContact OD1-N 3.07Å; D282-L286 VanDerWaalsContact OD1-O 3.06Å; D282-L286 WeakPolarHBondContact OD2-CB 3.35Å; D282-L286 WeakPolarHBondContact OD2-CG 3.28Å; D282-L286 PolarHBondContact OD2-N 2.85Å; D282-L286 VanDerWaalsContact OD2-N 3.17Å | ||
| 287 | R | 90 | Very high | 85.9 | Confident | 140 Ų | 140 | 37.9 Ų | 37.9 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.4 | -173.4 | -62.2 | -175.8 | -175.5 | -167.6 | -3.3 | 113.4 | A280 Q281 | A280-R287 CarbonylContact O-C 3.47Å; A280-R287 VanDerWaalsContact O-CA 3.26Å; A280-R287 WeakPolarHBondContact O-CA 3.09Å; Q281-R287 HydrophobicContact CB-CG 4.46Å; Q281-R287 HydrophobicContact CG-CG 4.48Å |
| 288 | G | 85.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 149.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P150 I279 A280 | P150-G288 WeakPolarHBondContact O-CA 3.43Å; I279-G288 WeakPolarHBondContact CA-O 3.33Å; A280-G288 PolarHBondContact N-O 3.21Å; A280-G288 PolarHBondContact O-N 3.48Å |
| 289 | S | 89 | Confident | 84.4 | Confident | 75 Ų | 75 | 37 Ų | 37 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151 | 168.2 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | L278 | L278-S289 CarbonylContact O-C 3.54Å; L278-S289 WeakPolarHBondContact O-CA 3.12Å |
| 290 | I | 86.6 | Confident | 83.5 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.4 | 174.8 | -167.7 | 162.4 | 0 | 0 | 0 | 109.6 | F152 V154 K165 I167 L278 | F152-I290 HydrophobicContact CB-CB 4.13Å; F152-I290 HydrophobicContact CB-CD1 3.95Å; F152-I290 HydrophobicContact CB-CG2 4.13Å; F152-I290 HydrophobicContact CD1-CG2 3.93Å; F152-I290 HydrophobicContact CD2-CB 3.88Å; F152-I290 HydrophobicContact CD2-CG2 3.71Å; F152-I290 HydrophobicContact CE1-CG2 4.21Å; F152-I290 HydrophobicContact CE2-CB 4.48Å; F152-I290 HydrophobicContact CE2-CG2 4Å; F152-I290 HydrophobicContact CG-CB 4.03Å; F152-I290 HydrophobicContact CG-CG2 3.66Å; F152-I290 HydrophobicContact CZ-CG2 4.23Å; V154-I290 HydrophobicContact CG2-CD1 3.37Å; K165-I290 WeakPolarHBondContact O-CG1 3.32Å; I167-I290 HydrophobicContact CD1-CD1 3.9Å; I167-I290 HydrophobicContact CD1-CG1 4.23Å; I167-I290 HydrophobicContact CD1-CG2 3.83Å; I167-I290 HydrophobicContact CG1-CD1 3.95Å; I167-I290 HydrophobicContact CG1-CG1 4.42Å; L278-I290 HydrophobicContact CB-CG2 3.9Å; L278-I290 HydrophobicContact CD2-CG2 3.95Å; L278-I290 HydrophobicContact CG-CG2 4.32Å; L278-I290 PolarHBondContact N-O 2.99Å; L278-I290 PolarHBondContact O-N 3.32Å |
| 291 | Q | 86.1 | Confident | 82.7 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 138.7 | -180 | -162.6 | 179.6 | 32 | 0 | 0 | 109.6 | K165 S166 I167 D206 I293 | K165-Q291 WeakPolarHBondContact O-CB 3.29Å; K165-Q291 PolarHBondContact O-N 3.22Å; S166-Q291 CarbonylContact C-O 3Å; S166-Q291 VanDerWaalsContact CA-O 3.28Å; S166-Q291 WeakPolarHBondContact CA-O 3.01Å; I167-Q291 PolarHBondContact N-O 3.38Å; D206-Q291 PolarHBondContact OD2-NE2 3.05Å; Q291-I293 HydrophobicContact CG-CG1 4.24Å |
| 292 | L | 87.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.1 | 164.2 | -52.1 | -178 | 0 | 0 | 0 | 107.3 | I167 L184 I203 I260 L276 L278 | I167-L292 HydrophobicContact CB-CD2 3.93Å; I167-L292 HydrophobicContact CD1-CD2 3.63Å; I167-L292 HydrophobicContact CG1-CD2 4.38Å; L184-L292 HydrophobicContact CD1-CD1 4.26Å; L184-L292 HydrophobicContact CD2-CD1 4.37Å; L184-L292 HydrophobicContact CD2-CD2 3.7Å; I203-L292 HydrophobicContact CG2-CD1 4.08Å; I260-L292 HydrophobicContact CD1-CD1 3.94Å; L276-L292 HydrophobicContact CB-CB 4.13Å; L276-L292 HydrophobicContact CD1-CD1 4.41Å; L276-L292 PolarHBondContact N-O 3.29Å; L276-L292 PolarHBondContact O-N 2.88Å; L278-L292 HydrophobicContact CB-CD1 4.13Å; L278-L292 HydrophobicContact CB-CD2 4.08Å; L278-L292 HydrophobicContact CB-CG 3.99Å; L278-L292 HydrophobicContact CD2-CD2 4.45Å |
| 293 | I | 86.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.3 | 170.4 | -65.1 | 175.2 | 0 | 0 | 0 | 105.7 | I167 H168 L169 I273 Q291 E295 | I167-I293 PolarHBondContact O-N 3.17Å; H168-I293 CarbonylContact C-O 3.42Å; H168-I293 WeakPolarHBondContact CA-O 3.41Å; L169-I293 PolarHBondContact N-O 2.76Å; I273-I293 HydrophobicContact CD1-CG2 3.96Å; I273-I293 HydrophobicContact CG1-CG2 4.26Å; Q291-I293 HydrophobicContact CG-CG1 4.24Å; I293-E295 HydrophobicContact CG2-CG 4.31Å; I293-E295 WeakPolarHBondContact CG2-OE1 3.38Å |
| 294 | I | 87.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111.6 | -179.4 | -60.8 | 173.1 | 0 | 0 | 0 | 106.6 | L169 F171 F247 I260 I273 Y274 L276 | L169-I294 HydrophobicContact CB-CG1 4.37Å; L169-I294 HydrophobicContact CD1-CG1 4.42Å; L169-I294 CarbonylContact O-C 3.59Å; L169-I294 WeakPolarHBondContact O-CA 3.46Å; F171-I294 HydrophobicContact CD2-CG2 3.52Å; F171-I294 HydrophobicContact CE2-CD1 4.34Å; F171-I294 HydrophobicContact CE2-CG2 3.98Å; F247-I294 HydrophobicContact CD1-CD1 3.83Å; F247-I294 HydrophobicContact CD2-CD1 4.23Å; F247-I294 HydrophobicContact CE1-CD1 3.62Å; F247-I294 HydrophobicContact CE1-CG2 3.95Å; F247-I294 HydrophobicContact CE2-CD1 4.02Å; F247-I294 HydrophobicContact CG-CD1 4.13Å; F247-I294 HydrophobicContact CZ-CB 4.44Å; F247-I294 HydrophobicContact CZ-CD1 3.72Å; F247-I294 HydrophobicContact CZ-CG2 4.01Å; I260-I294 HydrophobicContact CD1-CD1 3.99Å; I273-I294 CarbonylContact C-O 3.53Å; I273-I294 WeakPolarHBondContact CA-O 3.46Å; Y274-I294 PolarHBondContact N-O 2.87Å; Y274-I294 PolarHBondContact O-N 3Å; L276-I294 HydrophobicContact CD1-CD1 3.61Å; L276-I294 HydrophobicContact CG-CD1 4.05Å |
| 295 | E | 84.9 | Confident | 81.8 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143.1 | 174.6 | -73 | 153.6 | -136 | 0 | 0 | 108.4 | H168 L169 S170 F171 I273 I293 | H168-E295 IonicContact CE1-OE1 3.27Å; H168-E295 IonicContact CG-OE1 2.75Å; H168-E295 IonicContact ND1-OE1 3.61Å; H168-E295 PolarHBondContact ND1-OE1 3.19Å; L169-E295 PolarHBondContact O-N 2.99Å; S170-E295 VanDerWaalsContact CA-O 3.29Å; S170-E295 WeakPolarHBondContact CA-O 3.22Å; F171-E295 PolarHBondContact N-O 2.81Å; I273-E295 HydrophobicContact CD1-CG 4.45Å; I273-E295 HydrophobicContact CG1-CG 4.43Å; I293-E295 HydrophobicContact CG2-CG 4.31Å; I293-E295 WeakPolarHBondContact CG2-OE1 3.38Å |
| 296 | V | 84.3 | Confident | 82 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.3 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 108 | F171 E173 L266 R268 F272 Y274 | F171-V296 CarbonylContact O-C 3.48Å; F171-V296 WeakPolarHBondContact O-CA 3.4Å; E173-V296 HydrophobicContact CB-CG1 3.69Å; L266-V296 HydrophobicContact CB-CG1 4.26Å; L266-V296 HydrophobicContact CB-CG2 4.46Å; L266-V296 HydrophobicContact CD1-CG2 4Å; R268-V296 HydrophobicContact CB-CB 4.28Å; R268-V296 HydrophobicContact CB-CG1 3.82Å; R268-V296 HydrophobicContact CG-CB 4.15Å; R268-V296 HydrophobicContact CG-CG1 4.16Å; F272-V296 PolarHBondContact O-N 2.71Å; F272-V296 VanDerWaalsContact O-N 3.08Å; Y274-V296 HydrophobicContact CD2-CG2 4.19Å; Y274-V296 HydrophobicContact CE2-CG2 3.91Å |
| 297 | D | 79.2 | Confident | 81.7 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.4 | 178.5 | -71.9 | -35.2 | 0 | 0 | 0 | 109.4 | S170 F171 L172 E173 | S170-D297 VanDerWaalsContact CB-CG 3.46Å; S170-D297 VanDerWaalsContact CB-OD1 3.32Å; S170-D297 WeakPolarHBondContact CB-OD1 3.18Å; S170-D297 WeakPolarHBondContact CB-OD2 3.49Å; S170-D297 PolarHBondContact OG-OD2 3.16Å; F171-D297 PolarHBondContact O-N 2.95Å; L172-D297 HydrophobicContact CD2-CB 4.1Å; L172-D297 HydrophobicContact CG-CB 4.42Å; E173-D297 PolarHBondContact N-O 3.1Å; E173-D297 VanDerWaalsContact N-O 3.17Å |
| 298 | D | 74.9 | Confident | 80.9 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 135.1 | 178.9 | 178.7 | 53.5 | 0 | 0 | 0 | 113 | E173 R268 L357 | E173-D298 WeakPolarHBondContact OE1-CA 3.36Å; R268-D298 IonicContact CZ-OD1 3.17Å; R268-D298 IonicContact NE-OD1 3.42Å; R268-D298 PolarHBondContact NE-OD1 3.49Å; R268-D298 IonicContact NH1-OD1 3.78Å; R268-D298 PolarHBondContact NH1-OD1 3.42Å; R268-D298 IonicContact NH2-OD1 2.78Å; D298-L357 HydrophobicContact CB-CB 3.85Å; D298-L357 PolarHBondContact OD1-N 2.91Å; D298-L357 VanDerWaalsContact OD1-N 3.1Å; D298-L357 PolarHBondContact OD2-N 2.91Å |
| 299 | V | 71.6 | Confident | 80 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | trans | -126.5 | 100.1 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | L172 E173 L176 E301 | L172-V299 HydrophobicContact CB-CG2 4.37Å; L172-V299 HydrophobicContact CD2-CG2 3.67Å; E173-V299 HydrophobicContact CG-CB 3.84Å; E173-V299 HydrophobicContact CG-CG2 3.95Å; E173-V299 PolarHBondContact OE1-N 3.07Å; E173-V299 VanDerWaalsContact OE1-N 3.08Å; L176-V299 HydrophobicContact CD1-CG1 4.09Å; L176-V299 HydrophobicContact CD1-CG2 4.24Å; V299-E301 WeakPolarHBondContact O-CB 3.45Å; V299-E301 WeakPolarHBondContact O-CG 3.44Å; V299-E301 PolarHBondContact O-N 3.1Å | ||
| 300 | N | 71 | Confident | 78.6 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | trans | -49.5 | 105.3 | 179.2 | 169.1 | -88.8 | 0 | 0 | 0 | 112 | D356 I442 Y444 | N300-D356 VanDerWaalsContact CA-CG 3.48Å; N300-D356 WeakPolarHBondContact CA-OD2 3.19Å; N300-D356 HydrophobicContact CB-CB 4.5Å; N300-D356 WeakPolarHBondContact CB-OD2 3.34Å; N300-D356 PolarHBondContact ND2-OD2 3.44Å; N300-I442 PolarHBondContact OD1-O 3.15Å; N300-I442 VanDerWaalsContact OD1-O 3.11Å; N300-Y444 WeakPolarHBondContact O-CE2 3.41Å; N300-Y444 WeakPolarHBondContact OD1-CD2 3.37Å; N300-Y444 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 301 | E | 70.2 | Confident | 77.1 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | trans | -142.2 | -10.4 | -175.8 | 72.6 | 176.5 | -149.6 | 0 | 0 | 113.8 | V299 P303 D356 | V299-E301 WeakPolarHBondContact O-CB 3.45Å; V299-E301 WeakPolarHBondContact O-CG 3.44Å; V299-E301 PolarHBondContact O-N 3.1Å; E301-P303 WeakPolarHBondContact O-CD 3.49Å; E301-D356 PolarHBondContact N-OD1 2.66Å; E301-D356 PolarHBondContact N-OD2 2.98Å; E301-D356 VanDerWaalsContact N-OD2 3.14Å | ||
| 302 | F | 71.9 | Confident | 75.5 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -101.8 | 104.6 | 174.8 | -67.6 | -76.6 | 0 | 0 | 0 | 112.3 | E269 D356 | E269-F302 HydrophobicContact CG-CD2 4.48Å; E269-F302 HydrophobicContact CG-CE2 4Å; E269-F302 WeakPolarHBondContact OE2-CE2 3.42Å; F302-D356 WeakPolarHBondContact CB-OD1 3.22Å; F302-D356 WeakPolarHBondContact CD2-OD1 3.35Å; F302-D356 PolarHBondContact N-OD1 2.95Å; F302-D356 PolarHBondContact N-OD2 3.2Å |
| 303 | P | 75.8 | Confident | 73.8 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | trans | -61.7 | 140.1 | 178.1 | 27.1 | -36.1 | 0 | 0 | 0 | 111.5 | E301 I305 Y444 | E301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-I305 VanDerWaalsContact O-CG1 3.23Å; P303-I305 WeakPolarHBondContact O-CG1 3.38Å; P303-I305 PolarHBondContact O-N 3.39Å; P303-Y444 HydrophobicContact CB-CD1 4.42Å; P303-Y444 HydrophobicContact CB-CG 4.32Å | ||
| 304 | P | 84.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -61 | 128.4 | -176.5 | 23 | -34.4 | 0 | 0 | 0 | 111.4 | I353 D354 I367 D415 S446 | P304-I353 CarbonylContact C-O 3.44Å; P304-I353 VanDerWaalsContact CA-O 3.29Å; P304-I353 WeakPolarHBondContact CA-O 3.49Å; P304-D354 HydrophobicContact CB-CB 4.37Å; P304-I367 HydrophobicContact CB-CD1 4.23Å; P304-I367 HydrophobicContact CB-CG1 4.36Å; P304-I367 HydrophobicContact CB-CG2 4.13Å; P304-D415 WeakPolarHBondContact CD-OD2 3.4Å; P304-D415 HydrophobicContact CG-CB 4.31Å; P304-S446 WeakPolarHBondContact O-CB 3.29Å; P304-S446 PolarHBondContact O-OG 2.69Å | ||
| 305 | I | 81.9 | Confident | 70.3 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.9 | -171.8 | -51.1 | -172.2 | 0 | 0 | 0 | 110.7 | P303 A352 I353 Y355 | P303-I305 VanDerWaalsContact O-CG1 3.23Å; P303-I305 WeakPolarHBondContact O-CG1 3.38Å; P303-I305 PolarHBondContact O-N 3.39Å; I305-A352 CarbonylContact O-C 3.54Å; I305-A352 VanDerWaalsContact O-CA 3.24Å; I305-A352 WeakPolarHBondContact O-CA 3.09Å; I305-I353 PolarHBondContact N-O 2.9Å; I305-I353 PolarHBondContact O-N 3.14Å; I305-Y355 HydrophobicContact CD1-CE2 4.19Å |
| 306 | F | 85.7 | Confident | 68.4 | Low | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.5 | 171.9 | -75.6 | -83.7 | 0 | 0 | 0 | 112.3 | Y331 L350 A352 Y369 I411 A413 S446 A448 | F306-Y331 HydrophobicContact CB-CD1 3.52Å; F306-Y331 HydrophobicContact CB-CD2 3.9Å; F306-Y331 HydrophobicContact CB-CE1 4.04Å; F306-Y331 HydrophobicContact CB-CE2 4.4Å; F306-Y331 HydrophobicContact CB-CG 3.41Å; F306-Y331 VanDerWaalsContact CB-CG 3.41Å; F306-Y331 HydrophobicContact CD1-CD1 4.32Å; F306-Y331 HydrophobicContact CD1-CE1 4.49Å; F306-Y331 AromaticContact CG-CD1 3.94Å; F306-Y331 HydrophobicContact CG-CD1 3.94Å; F306-Y331 HydrophobicContact CG-CE1 4.49Å; F306-Y331 HydrophobicContact CG-CG 4.24Å; F306-L350 HydrophobicContact CD1-CB 4.31Å; F306-L350 HydrophobicContact CE1-CB 4.07Å; F306-L350 HydrophobicContact CE1-CD1 4.07Å; F306-A352 HydrophobicContact CD1-CB 4.22Å; F306-A352 HydrophobicContact CG-CB 4.44Å; F306-Y369 HydrophobicContact CE1-CD1 4.04Å; F306-Y369 AromaticContact CE1-CE1 3.96Å; F306-Y369 HydrophobicContact CE1-CE1 3.96Å; F306-Y369 HydrophobicContact CZ-CD1 4.42Å; F306-I411 HydrophobicContact CZ-CG2 4.27Å; F306-A413 HydrophobicContact CD2-CB 4.33Å; F306-A413 HydrophobicContact CE1-CB 4.01Å; F306-A413 HydrophobicContact CE2-CB 3.55Å; F306-A413 HydrophobicContact CZ-CB 3.37Å; F306-S446 WeakPolarHBondContact CD2-OG 3.39Å; F306-S446 VanDerWaalsContact CE2-OG 3.29Å; F306-S446 WeakPolarHBondContact CE2-OG 3.44Å; F306-A448 HydrophobicContact CD1-CB 4Å; F306-A448 HydrophobicContact CD2-CB 3.78Å; F306-A448 HydrophobicContact CE1-CB 3.78Å; F306-A448 HydrophobicContact CE2-CB 3.56Å; F306-A448 HydrophobicContact CG-CB 3.99Å; F306-A448 HydrophobicContact CZ-CB 3.54Å |
| 307 | I | 81.3 | Confident | 66.7 | Low | 13 Ų | 13 | 71.1 Ų | 71.1 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.9 | 177 | 58.7 | 165.9 | 0 | 0 | 0 | 111.8 | M316 Y331 K351 I353 | I307-M316 HydrophobicContact CG2-CE 4.47Å; I307-Y331 PolarHBondContact O-OH 3.13Å; I307-K351 HydrophobicContact CD1-CD 3.8Å; I307-K351 HydrophobicContact CD1-CG 4.09Å; I307-K351 HydrophobicContact CG1-CB 4.17Å; I307-K351 HydrophobicContact CG1-CD 4.18Å; I307-K351 HydrophobicContact CG1-CG 4Å; I307-K351 PolarHBondContact N-O 3.08Å; I307-I353 HydrophobicContact CD1-CD1 4.37Å; I307-I353 HydrophobicContact CD1-CG1 4.47Å; I307-I353 HydrophobicContact CD1-CG2 3.65Å; I307-I353 HydrophobicContact CG1-CG2 4.27Å; I307-I353 HydrophobicContact CG2-CD1 3.96Å; I307-I353 HydrophobicContact CG2-CG1 4.06Å |
| 308 | D | 74.2 | Confident | 65.1 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | trans | -68.5 | 137.8 | 175 | -92.7 | -45.5 | 0 | 0 | 0 | 111.7 | D310 Y311 Y331 K333 | D308-D310 PolarHBondContact O-N 3.1Å; D308-D310 VanDerWaalsContact O-N 3.07Å; D308-Y311 HydrophobicContact CB-CD2 4.41Å; D308-Y311 PolarHBondContact O-N 2.99Å; D308-Y331 PolarHBondContact OD1-OH 2.94Å; D308-K333 WeakPolarHBondContact OD1-CE 3.45Å; D308-K333 IonicContact OD1-NZ 2.61Å; D308-K333 PolarHBondContact OD1-NZ 3.39Å | ||
| 309 | S | 65.6 | Low | 63.7 | Low | 66 Ų | 66 | 75.4 Ų | 75.4 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.5 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 310 | D | 60.2 | Low | 62.5 | Low | 138 Ų | 138 | 82 Ų | 82 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.7 | -170.6 | -48 | -21 | 0 | 0 | 0 | 111.6 | D308 | D308-D310 PolarHBondContact O-N 3.1Å; D308-D310 VanDerWaalsContact O-N 3.07Å |
| 311 | Y | 55.7 | Low | 61.4 | Low | 81 Ų | 81 | 82.7 Ų | 82.7 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | trans | -80.5 | 119.1 | 173.7 | -113.5 | -91.7 | 0 | 0 | 0 | 111.1 | D308 D313 M316 Y325 | D308-Y311 HydrophobicContact CB-CD2 4.41Å; D308-Y311 PolarHBondContact O-N 2.99Å; Y311-D313 PolarHBondContact O-N 2.85Å; Y311-M316 HydrophobicContact CD1-CG 4.48Å; Y311-Y325 PolarHBondContact OH-OH 2.89Å | ||
| 312 | D | 50.8 | Low | 60.3 | Low | 87 Ų | 87 | 81.7 Ų | 81.7 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | trans | -69.5 | 121 | 172.1 | -176.5 | -9.5 | 0 | 0 | 0 | 110 | N314 Q315 | D312-N314 PolarHBondContact O-N 2.8Å; D312-N314 PolarHBondContact OD1-N 3Å; D312-N314 PolarHBondContact OD1-ND2 3.21Å; D312-Q315 PolarHBondContact O-N 3.43Å | ||
| 313 | D | 52 | Low | 58.9 | Low | 106 Ų | 106 | 82.7 Ų | 82.7 | 57% | 0.567 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -18.7 | -178.4 | -72.9 | -49.7 | 0 | 0 | 0 | 113.2 | Y311 Q315 K351 | Y311-D313 PolarHBondContact O-N 2.85Å; D313-Q315 VanDerWaalsContact C-N 3.3Å; D313-Q315 PolarHBondContact O-N 3.12Å; D313-K351 IonicContact OD1-NZ 2.81Å; D313-K351 PolarHBondContact OD1-NZ 2.99Å; D313-K351 IonicContact OD2-NZ 2.6Å; D313-K351 PolarHBondContact OD2-NZ 3.43Å |
| 314 | N | 50.2 | Low | 57.4 | Low | 135 Ų | 135 | 82.6 Ų | 82.6 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14 | 176.6 | -67.7 | -79.3 | 0 | 0 | 0 | 115.1 | D312 | D312-N314 PolarHBondContact O-N 2.8Å; D312-N314 PolarHBondContact OD1-N 3Å; D312-N314 PolarHBondContact OD1-ND2 3.21Å |
| 315 | Q | 50.3 | Low | 55.7 | Low | 128 Ų | 128 | 86.5 Ų | 86.5 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -96.5 | -16.1 | -174.9 | -61.2 | -166.7 | 32.9 | 0 | 0 | 114.9 | D312 D313 K317 | D312-Q315 PolarHBondContact O-N 3.43Å; D313-Q315 VanDerWaalsContact C-N 3.3Å; D313-Q315 PolarHBondContact O-N 3.12Å; Q315-K317 PolarHBondContact O-N 3.16Å |
| 316 | M | 45.7 | Very low | 54.1 | Low | 61 Ų | 61 | 88.4 Ų | 88.4 | 30% | 0.3 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 58.7 | -179 | -65.1 | -171.8 | 75.1 | 0 | 0 | 113 | I307 Y311 I353 | I307-M316 HydrophobicContact CG2-CE 4.47Å; Y311-M316 HydrophobicContact CD1-CG 4.48Å; M316-I353 HydrophobicContact CE-CD1 3.85Å; M316-I353 HydrophobicContact SD-CD1 4.14Å |
| 317 | K | 47.7 | Very low | 52.2 | Low | 181 Ų | 181 | 93.2 Ų | 93.2 | 79% | 0.787 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 5.8 | 170.4 | -74.7 | -167.2 | 175.8 | -176.1 | 0 | 115 | Q315 | Q315-K317 PolarHBondContact O-N 3.16Š|
| 318 | D | 45.7 | Very low | 50.7 | Low | 77 Ų | 77 | 98.6 Ų | 98.6 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | trans | -93.4 | 107.5 | 168.6 | -167.8 | -8.9 | 0 | 0 | 0 | 110.1 | R320 L321 | D318-R320 PolarHBondContact O-N 3.1Å; D318-R320 WeakPolarHBondContact OD1-CB 3.5Å; D318-R320 WeakPolarHBondContact OD1-CD 3.47Å; D318-R320 WeakPolarHBondContact OD1-CG 3.3Å; D318-R320 PolarHBondContact OD1-N 2.69Å; D318-R320 VanDerWaalsContact OD1-N 3.1Å; D318-R320 IonicContact OD1-NE 3.57Å; D318-R320 PolarHBondContact OD1-NE 2.93Å; D318-R320 VanDerWaalsContact OD1-NE 3.16Å; D318-R320 IonicContact OD2-NE 3.09Å; D318-L321 WeakPolarHBondContact O-CB 3.06Å; D318-L321 PolarHBondContact O-N 3.22Å | ||
| 319 | S | 46.9 | Very low | 50 | Low | 106 Ų | 106 | 105 Ų | 105 | 74% | 0.741 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.9 | -16.3 | 177.7 | -42.2 | 0 | 0 | 0 | 0 | 113.6 | F322 | S319-F322 WeakPolarHBondContact O-CB 3.48Å |
| 320 | R | 45.6 | Very low | 50.2 | Low | 168 Ų | 168 | 105.2 Ų | 105.2 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -34.8 | 172.9 | -60.2 | 168 | -136.7 | -138.8 | -4.5 | 112.3 | D318 F322 S323 | D318-R320 PolarHBondContact O-N 3.1Å; D318-R320 WeakPolarHBondContact OD1-CB 3.5Å; D318-R320 WeakPolarHBondContact OD1-CD 3.47Å; D318-R320 WeakPolarHBondContact OD1-CG 3.3Å; D318-R320 PolarHBondContact OD1-N 2.69Å; D318-R320 VanDerWaalsContact OD1-N 3.1Å; D318-R320 IonicContact OD1-NE 3.57Å; D318-R320 PolarHBondContact OD1-NE 2.93Å; D318-R320 VanDerWaalsContact OD1-NE 3.16Å; D318-R320 IonicContact OD2-NE 3.09Å; R320-F322 VanDerWaalsContact C-N 3.34Å; R320-S323 PolarHBondContact O-N 2.93Å; R320-S323 PolarHBondContact O-OG 3.48Å |
| 321 | L | 46.8 | Very low | 51.2 | Low | 61 Ų | 61 | 100.1 Ų | 100.1 | 32% | 0.319 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -33.9 | -179.1 | -126.2 | 70.7 | 0 | 0 | 0 | 111.7 | D318 S323 S324 Y325 | D318-L321 WeakPolarHBondContact O-CB 3.06Å; D318-L321 PolarHBondContact O-N 3.22Å; L321-S323 PolarHBondContact O-N 2.89Å; L321-S324 PolarHBondContact O-N 3.11Å; L321-S324 PolarHBondContact O-OG 2.77Å; L321-Y325 HydrophobicContact CD2-CE2 4.1Å; L321-Y325 HydrophobicContact CG-CE2 4.06Å; L321-Y325 VanDerWaalsContact O-CD2 3.3Å; L321-Y325 WeakPolarHBondContact O-CD2 3.12Å |
| 322 | F | 47.2 | Very low | 52.6 | Low | 75 Ų | 75 | 103.4 Ų | 103.4 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -49.8 | -46.3 | 176.3 | -143.3 | -82.2 | 0 | 0 | 0 | 111.4 | S319 R320 S324 Y325 T326 Y355 | S319-F322 WeakPolarHBondContact O-CB 3.48Å; R320-F322 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.49Å; F322-S324 VanDerWaalsContact O-N 3.1Å; F322-Y325 PolarHBondContact O-N 2.91Å; F322-Y325 VanDerWaalsContact O-N 3.16Å; F322-T326 HydrophobicContact CD1-CG2 3.77Å; F322-T326 HydrophobicContact CE1-CG2 3.96Å; F322-T326 PolarHBondContact O-N 3.27Å; F322-T326 VanDerWaalsContact O-N 3.12Å; F322-T326 PolarHBondContact O-OG1 3.32Å; F322-Y355 HydrophobicContact CE2-CD1 4.47Å; F322-Y355 HydrophobicContact CE2-CD2 4.36Å; F322-Y355 AromaticContact CE2-CE1 3.89Å; F322-Y355 HydrophobicContact CE2-CE1 3.89Å; F322-Y355 AromaticContact CE2-CE2 3.75Å; F322-Y355 HydrophobicContact CE2-CE2 3.75Å; F322-Y355 AromaticContact CE2-CZ 3.48Å; F322-Y355 VanDerWaalsContact CE2-CZ 3.48Å; F322-Y355 HydrophobicContact CZ-CD2 4.08Å; F322-Y355 AromaticContact CZ-CE2 3.77Å; F322-Y355 HydrophobicContact CZ-CE2 3.77Å |
| 323 | S | 44.1 | Very low | 54.3 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -19.7 | 178.8 | 74.9 | 0 | 0 | 0 | 0 | 115.4 | R320 L321 T326 T327 | R320-S323 PolarHBondContact O-N 2.93Å; R320-S323 PolarHBondContact O-OG 3.48Å; L321-S323 PolarHBondContact O-N 2.89Å; S323-T326 WeakPolarHBondContact CA-OG1 3.2Å; S323-T326 PolarHBondContact O-OG1 3Å; S323-T327 PolarHBondContact O-OG1 3.41Å |
| 324 | S | 43.5 | Very low | 56 | Low | 55 Ų | 55 | 101.1 Ų | 101.1 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -90.5 | -23.1 | 179.6 | 67.9 | 0 | 0 | 0 | 0 | 113.7 | L321 F322 T327 | L321-S324 PolarHBondContact O-N 3.11Å; L321-S324 PolarHBondContact O-OG 2.77Å; F322-S324 PolarHBondContact O-N 3.49Å; F322-S324 VanDerWaalsContact O-N 3.1Å; S324-T327 PolarHBondContact O-OG1 3.01Å |
| 325 | Y | 49.5 | Very low | 57.9 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -89.7 | -36.3 | 175.4 | -65.9 | -74.5 | 0 | 0 | 0 | 111.9 | Y311 L321 F322 T327 Q328 | Y311-Y325 PolarHBondContact OH-OH 2.89Å; L321-Y325 HydrophobicContact CD2-CE2 4.1Å; L321-Y325 HydrophobicContact CG-CE2 4.06Å; L321-Y325 VanDerWaalsContact O-CD2 3.3Å; L321-Y325 WeakPolarHBondContact O-CD2 3.12Å; F322-Y325 PolarHBondContact O-N 2.91Å; F322-Y325 VanDerWaalsContact O-N 3.16Å; Y325-T327 PolarHBondContact O-N 3.01Å; Y325-Q328 PolarHBondContact O-N 3.38Å |
| 326 | T | 47.8 | Very low | 59.9 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -8.4 | 173 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | F322 S323 | F322-T326 HydrophobicContact CD1-CG2 3.77Å; F322-T326 HydrophobicContact CE1-CG2 3.96Å; F322-T326 PolarHBondContact O-N 3.27Å; F322-T326 VanDerWaalsContact O-N 3.12Å; F322-T326 PolarHBondContact O-OG1 3.32Å; S323-T326 WeakPolarHBondContact CA-OG1 3.2Å; S323-T326 PolarHBondContact O-OG1 3Å |
| 327 | T | 44.7 | Very low | 62 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.2 | 173.6 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | S323 S324 Y325 | S323-T327 PolarHBondContact O-OG1 3.41Å; S324-T327 PolarHBondContact O-OG1 3.01Å; Y325-T327 PolarHBondContact O-N 3.01Å |
| 328 | Q | 49.6 | Very low | 64 | Low | 126 Ų | 126 | 91.3 Ų | 91.3 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | trans | -104.9 | 96.8 | 172.7 | -69.2 | -167.2 | -6.8 | 0 | 0 | 110.6 | Y325 I330 | Y325-Q328 PolarHBondContact O-N 3.38Å; Q328-I330 PolarHBondContact O-N 3.45Å | ||
| 329 | E | 59.7 | Low | 66.2 | Low | 197 Ų | 197 | 88 Ų | 88 | 92% | 0.921 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -58.5 | -20.2 | -176 | -61 | -179.2 | 142.6 | 0 | 0 | 114.8 | ||
| 330 | I | 69.9 | Low | 68.2 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -147.1 | 120.8 | -179.4 | -52.8 | 178.6 | 0 | 0 | 0 | 109.6 | Q328 T447 L449 | Q328-I330 PolarHBondContact O-N 3.45Å; I330-T447 WeakPolarHBondContact CG2-O 3.17Å; I330-L449 HydrophobicContact CD1-CD1 4.41Å; I330-L449 HydrophobicContact CG2-CB 4.34Å; I330-L449 HydrophobicContact CG2-CD1 3.82Å; I330-L449 HydrophobicContact CG2-CG 3.75Å |
| 331 | Y | 82.4 | Confident | 70.4 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 13% | 0.125 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.3 | 172 | 172.7 | -97.1 | 0 | 0 | 0 | 111 | F306 I307 D308 K333 L350 A448 L449 | F306-Y331 HydrophobicContact CB-CD1 3.52Å; F306-Y331 HydrophobicContact CB-CD2 3.9Å; F306-Y331 HydrophobicContact CB-CE1 4.04Å; F306-Y331 HydrophobicContact CB-CE2 4.4Å; F306-Y331 HydrophobicContact CB-CG 3.41Å; F306-Y331 VanDerWaalsContact CB-CG 3.41Å; F306-Y331 HydrophobicContact CD1-CD1 4.32Å; F306-Y331 HydrophobicContact CD1-CE1 4.49Å; F306-Y331 AromaticContact CG-CD1 3.94Å; F306-Y331 HydrophobicContact CG-CD1 3.94Å; F306-Y331 HydrophobicContact CG-CE1 4.49Å; F306-Y331 HydrophobicContact CG-CG 4.24Å; I307-Y331 PolarHBondContact O-OH 3.13Å; D308-Y331 PolarHBondContact OD1-OH 2.94Å; Y331-K333 HydrophobicContact CE1-CB 3.89Å; Y331-L350 HydrophobicContact CE1-CD2 4.39Å; Y331-A448 HydrophobicContact CD1-CB 3.77Å; Y331-A448 HydrophobicContact CE1-CB 4.48Å; Y331-A448 WeakPolarHBondContact O-CA 3.14Å; Y331-L449 PolarHBondContact O-N 3.41Å |
| 332 | K | 84 | Confident | 72.4 | Confident | 150 Ų | 150 | 84.4 Ų | 84.4 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119.4 | -175.1 | -69.8 | 172 | -173.7 | 170.3 | 0 | 110.7 | L449 | K332-L449 WeakPolarHBondContact CA-O 3.3Å; K332-L449 HydrophobicContact CG-CB 4.28Å |
| 333 | K | 86.4 | Confident | 74.4 | Confident | 43 Ų | 43 | 85.9 Ų | 85.9 | 19% | 0.187 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142 | 173.5 | -165.8 | 68.7 | 168.4 | -173.9 | 0 | 109.5 | D308 Y331 Y335 L449 I450 D451 | D308-K333 WeakPolarHBondContact OD1-CE 3.45Å; D308-K333 IonicContact OD1-NZ 2.61Å; D308-K333 PolarHBondContact OD1-NZ 3.39Å; Y331-K333 HydrophobicContact CE1-CB 3.89Å; K333-Y335 HydrophobicContact CG-CE1 4.33Å; K333-Y335 HydrophobicContact CG-CE2 4.03Å; K333-L449 PolarHBondContact N-O 2.83Å; K333-L449 VanDerWaalsContact N-O 3.13Å; K333-I450 HydrophobicContact CB-CD1 3.88Å; K333-I450 WeakPolarHBondContact O-CA 3.33Å; K333-D451 PolarHBondContact O-N 3.5Å |
| 334 | Q | 88.8 | Confident | 76.5 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.2 | 175.9 | -177.1 | 174.2 | 102.5 | 0 | 0 | 109.2 | D451 I453 | Q334-D451 VanDerWaalsContact CA-O 3.3Å; Q334-D451 WeakPolarHBondContact CA-O 3.37Å; Q334-I453 VanDerWaalsContact CD-CD1 3.48Å; Q334-I453 HydrophobicContact CG-CD1 4.13Å; Q334-I453 HydrophobicContact CG-CG1 4.33Å |
| 335 | Y | 90.6 | Very high | 78.7 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 12% | 0.118 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.1 | 168.5 | -62.7 | -72.1 | 0 | 0 | 0 | 108.9 | K333 I347 Q349 I450 D451 I453 | K333-Y335 HydrophobicContact CG-CE1 4.33Å; K333-Y335 HydrophobicContact CG-CE2 4.03Å; Y335-I347 HydrophobicContact CD1-CG2 4.39Å; Y335-I347 WeakPolarHBondContact CD1-O 3.33Å; Y335-I347 HydrophobicContact CD2-CG2 4.07Å; Y335-I347 HydrophobicContact CG-CG2 3.83Å; Y335-Q349 PolarHBondContact OH-O 2.87Å; Y335-I450 HydrophobicContact CD2-CG2 3.55Å; Y335-I450 HydrophobicContact CE2-CG2 3.68Å; Y335-D451 PolarHBondContact N-O 3.17Å; Y335-I453 PolarHBondContact O-N 3.38Å |
| 336 | K | 90.7 | Very high | 80.7 | Confident | 135 Ų | 135 | 86.6 Ų | 86.6 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.2 | 175.7 | -67.6 | -173.3 | 176.9 | -175.6 | 0 | 108.1 | I453 L455 | K336-I453 WeakPolarHBondContact CA-O 3.39Å; K336-I453 HydrophobicContact CG-CB 4.34Å; K336-L455 HydrophobicContact CB-CD1 4.03Å; K336-L455 HydrophobicContact CB-CD2 4.28Å; K336-L455 HydrophobicContact CB-CG 4.16Å |
| 337 | V | 90.9 | Very high | 82.8 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.3 | -165.6 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | L341 I347 L399 I452 I453 V454 L455 | V337-L341 HydrophobicContact CG1-CB 3.96Å; V337-L341 HydrophobicContact CG1-CD2 3.45Å; V337-L341 VanDerWaalsContact CG1-CD2 3.45Å; V337-L341 HydrophobicContact CG1-CG 4.28Å; V337-I347 HydrophobicContact CG2-CG1 4.36Å; V337-I347 HydrophobicContact CG2-CG2 3.79Å; V337-L399 HydrophobicContact CB-CD1 4.31Å; V337-L399 HydrophobicContact CG1-CD1 3.57Å; V337-I452 HydrophobicContact CB-CG2 4.27Å; V337-I452 HydrophobicContact CG2-CG2 3.99Å; V337-I453 PolarHBondContact N-O 3.36Å; V337-V454 CarbonylContact O-C 3.06Å; V337-V454 WeakPolarHBondContact O-CA 3.16Å; V337-L455 PolarHBondContact O-N 2.69Å |
| 338 | K | 90 | Very high | 84.8 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.8 | 170.2 | -73.8 | -166.3 | 169 | -154.3 | 0 | 110.4 | S340 L341 L455 V457 | K338-S340 PolarHBondContact O-N 2.58Å; K338-L341 VanDerWaalsContact O-CB 3.26Å; K338-L341 WeakPolarHBondContact O-CB 3.27Å; K338-L341 PolarHBondContact O-N 3.2Å; K338-L455 WeakPolarHBondContact CA-O 3.33Å; K338-L455 HydrophobicContact CG-CB 4.33Å; K338-V457 HydrophobicContact CB-CG2 3.97Å; K338-V457 HydrophobicContact CD-CG2 3.94Å; K338-V457 HydrophobicContact CG-CG2 4.07Å |
| 339 | E | 90.9 | Very high | 86.7 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.5 | 176.7 | 66.8 | -151.4 | 109.4 | 0 | 0 | 113.3 | L341 L399 Y401 V454 L455 D456 V457 | E339-L341 PolarHBondContact O-N 2.86Å; E339-L399 HydrophobicContact CB-CB 3.99Å; E339-Y401 WeakPolarHBondContact OE1-CB 3.35Å; E339-Y401 WeakPolarHBondContact OE2-CB 3.37Å; E339-Y401 PolarHBondContact OE2-N 3.48Å; E339-V454 HydrophobicContact CB-CG1 3.71Å; E339-L455 PolarHBondContact N-O 3.18Å; E339-D456 VanDerWaalsContact OE1-CA 3.23Å; E339-D456 WeakPolarHBondContact OE1-CA 3.26Å; E339-V457 HydrophobicContact CG-CB 4.15Å; E339-V457 HydrophobicContact CG-CG2 4.14Å; E339-V457 PolarHBondContact OE1-N 2.95Å |
| 340 | S | 89.3 | Confident | 88 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 26.9 | 170.8 | 81.4 | 0 | 0 | 0 | 0 | 114.1 | K338 | K338-S340 PolarHBondContact O-N 2.58Š|
| 341 | L | 90.9 | Very high | 88.9 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 126.9 | 175.3 | -176.9 | 68.6 | 0 | 0 | 0 | 109.9 | V337 K338 E339 S345 I347 L395 | V337-L341 HydrophobicContact CG1-CB 3.96Å; V337-L341 HydrophobicContact CG1-CD2 3.45Å; V337-L341 VanDerWaalsContact CG1-CD2 3.45Å; V337-L341 HydrophobicContact CG1-CG 4.28Å; K338-L341 VanDerWaalsContact O-CB 3.26Å; K338-L341 WeakPolarHBondContact O-CB 3.27Å; K338-L341 PolarHBondContact O-N 3.2Å; E339-L341 PolarHBondContact O-N 2.86Å; L341-S345 WeakPolarHBondContact CD1-OG 3.48Å; L341-I347 HydrophobicContact CD2-CG1 4.19Å; L341-L395 HydrophobicContact CB-CD2 4.13Å; L341-L395 HydrophobicContact CD2-CD2 4.16Å; L341-L395 HydrophobicContact CG-CD2 4.22Å; L341-L395 WeakPolarHBondContact O-CD2 3.44Å |
| 342 | D | 88.8 | Confident | 88.9 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 68% | 0.684 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 140.7 | -179.4 | -72 | -55.5 | 0 | 0 | 0 | 113.1 | G344 S345 | D342-G344 PolarHBondContact O-N 3.04Å; D342-S345 WeakPolarHBondContact O-CB 3.23Å; D342-S345 PolarHBondContact O-N 3.3Å; D342-S345 PolarHBondContact O-OG 3.02Å |
| 343 | I | 89.3 | Confident | 88.7 | Confident | 107 Ų | 107 | 59.5 Ų | 59.5 | 55% | 0.549 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.8 | 173.4 | -63.5 | 174.3 | 0 | 0 | 0 | 109.5 | K396 | I343-K396 VanDerWaalsContact CG2-O 3.3Å; I343-K396 WeakPolarHBondContact CG2-O 3.37Å |
| 344 | G | 88.3 | Confident | 88.4 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -11.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D342 L395 | D342-G344 PolarHBondContact O-N 3.04Å; G344-L395 WeakPolarHBondContact CA-O 3.26Å; G344-L395 PolarHBondContact N-O 2.86Å |
| 345 | S | 90.6 | Very high | 87.6 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | trans | -62.5 | 143.7 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 113 | L341 D342 T394 L395 | L341-S345 WeakPolarHBondContact CD1-OG 3.48Å; D342-S345 WeakPolarHBondContact O-CB 3.23Å; D342-S345 PolarHBondContact O-N 3.3Å; D342-S345 PolarHBondContact O-OG 3.02Å; S345-T394 VanDerWaalsContact O-CA 3.3Å; S345-T394 WeakPolarHBondContact O-CA 3.24Å; S345-L395 PolarHBondContact O-N 2.72Å | ||
| 346 | R | 91.7 | Very high | 86.7 | Confident | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119 | 174.2 | 173.5 | 172.5 | 166 | 174.5 | -7.3 | 110.3 | G348 I392 T394 | R346-G348 PolarHBondContact NE-O 2.75Å; R346-I392 HydrophobicContact CG-CG2 3.96Å; R346-T394 HydrophobicContact CB-CG2 4.35Å |
| 347 | I | 90.4 | Very high | 85.5 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -38.4 | 177.1 | -63.7 | 175.5 | 0 | 0 | 0 | 110.8 | Y335 V337 L341 F384 L393 L395 I452 | Y335-I347 HydrophobicContact CD1-CG2 4.39Å; Y335-I347 WeakPolarHBondContact CD1-O 3.33Å; Y335-I347 HydrophobicContact CD2-CG2 4.07Å; Y335-I347 HydrophobicContact CG-CG2 3.83Å; V337-I347 HydrophobicContact CG2-CG1 4.36Å; V337-I347 HydrophobicContact CG2-CG2 3.79Å; L341-I347 HydrophobicContact CD2-CG1 4.19Å; I347-F384 HydrophobicContact CD1-CD1 3.63Å; I347-F384 HydrophobicContact CD1-CE1 3.53Å; I347-L393 PolarHBondContact N-O 2.57Å; I347-L395 HydrophobicContact CD1-CB 4.22Å; I347-L395 HydrophobicContact CD1-CD1 4.41Å; I347-I452 HydrophobicContact CD1-CD1 4.05Å; I347-I452 HydrophobicContact CG2-CD1 4.23Å |
| 348 | G | 87.4 | Confident | 83.8 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -170.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R346 L393 | R346-G348 PolarHBondContact NE-O 2.75Å; G348-L393 PolarHBondContact N-O 3.34Å; G348-L393 PolarHBondContact O-N 2.9Å; G348-L393 VanDerWaalsContact O-N 3.08Å |
| 349 | Q | 89.1 | Confident | 81.9 | Confident | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 140.5 | 167.9 | -179.8 | 175.4 | 9.5 | 0 | 0 | 108.2 | Y335 T390 G391 I392 | Y335-Q349 PolarHBondContact OH-O 2.87Å; Q349-T390 WeakPolarHBondContact CG-O 3.47Å; Q349-T390 PolarHBondContact NE2-O 2.83Å; Q349-G391 WeakPolarHBondContact CA-O 3.4Å; Q349-I392 HydrophobicContact CB-CG1 4.03Å; Q349-I392 HydrophobicContact CG-CG1 3.77Å |
| 350 | L | 88.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | trans | -102.3 | 138.7 | 172.5 | -55.8 | 178 | 0 | 0 | 0 | 109 | F306 Y331 Y369 G391 I411 I450 | F306-L350 HydrophobicContact CD1-CB 4.31Å; F306-L350 HydrophobicContact CE1-CB 4.07Å; F306-L350 HydrophobicContact CE1-CD1 4.07Å; Y331-L350 HydrophobicContact CE1-CD2 4.39Å; L350-Y369 HydrophobicContact CB-CE1 4.4Å; L350-G391 PolarHBondContact N-O 3.19Å; L350-I411 HydrophobicContact CD1-CB 4.14Å; L350-I411 HydrophobicContact CD1-CD1 3.7Å; L350-I411 HydrophobicContact CD1-CG2 3.9Å; L350-I450 HydrophobicContact CD1-CD1 3.88Å; L350-I450 HydrophobicContact CD1-CG1 4.08Å; L350-I450 HydrophobicContact CD2-CD1 3.57Å; L350-I450 HydrophobicContact CD2-CG1 4.46Å; L350-I450 HydrophobicContact CG-CD1 4.37Å | ||
| 351 | K | 87.4 | Confident | 77.5 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.8 | 170 | -176.5 | 178.3 | 174.3 | -168.6 | 0 | 106.7 | I307 D313 | I307-K351 HydrophobicContact CD1-CD 3.8Å; I307-K351 HydrophobicContact CD1-CG 4.09Å; I307-K351 HydrophobicContact CG1-CB 4.17Å; I307-K351 HydrophobicContact CG1-CD 4.18Å; I307-K351 HydrophobicContact CG1-CG 4Å; I307-K351 PolarHBondContact N-O 3.08Å; D313-K351 IonicContact OD1-NZ 2.81Å; D313-K351 PolarHBondContact OD1-NZ 2.99Å; D313-K351 IonicContact OD2-NZ 2.6Å; D313-K351 PolarHBondContact OD2-NZ 3.43Å |
| 352 | A | 83.7 | Confident | 75.3 | Confident | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 155.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I305 F306 I367 Y369 A413 | I305-A352 CarbonylContact O-C 3.54Å; I305-A352 VanDerWaalsContact O-CA 3.24Å; I305-A352 WeakPolarHBondContact O-CA 3.09Å; F306-A352 HydrophobicContact CD1-CB 4.22Å; F306-A352 HydrophobicContact CG-CB 4.44Å; A352-I367 HydrophobicContact CB-CD1 4.15Å; A352-I367 HydrophobicContact CB-CG2 4.1Å; A352-I367 WeakPolarHBondContact O-CD1 3.49Å; A352-Y369 HydrophobicContact CB-CE1 4.01Å; A352-Y369 PolarHBondContact N-OH 2.95Å; A352-A413 HydrophobicContact CB-CB 3.8Å |
| 353 | I | 80.1 | Confident | 73 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.3 | 171.4 | 54.9 | 173.3 | 0 | 0 | 0 | 108.6 | P304 I305 I307 M316 Y355 | P304-I353 CarbonylContact C-O 3.44Å; P304-I353 VanDerWaalsContact CA-O 3.29Å; P304-I353 WeakPolarHBondContact CA-O 3.49Å; I305-I353 PolarHBondContact N-O 2.9Å; I305-I353 PolarHBondContact O-N 3.14Å; I307-I353 HydrophobicContact CD1-CD1 4.37Å; I307-I353 HydrophobicContact CD1-CG1 4.47Å; I307-I353 HydrophobicContact CD1-CG2 3.65Å; I307-I353 HydrophobicContact CG1-CG2 4.27Å; I307-I353 HydrophobicContact CG2-CD1 3.96Å; I307-I353 HydrophobicContact CG2-CG1 4.06Å; M316-I353 HydrophobicContact CE-CD1 3.85Å; M316-I353 HydrophobicContact SD-CD1 4.14Å; I353-Y355 HydrophobicContact CD1-CE2 4Å; I353-Y355 WeakPolarHBondContact CD1-OH 3.34Å; I353-Y355 HydrophobicContact CG1-CE2 4.37Å |
| 354 | D | 78.9 | Confident | 70.9 | Confident | 50 Ų | 50 | 68.8 Ų | 68.8 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | trans | -111.4 | 146.6 | 172.4 | -159.6 | -27.1 | 0 | 0 | 0 | 106.8 | P304 D356 I367 | P304-D354 HydrophobicContact CB-CB 4.37Å; D354-D356 WeakPolarHBondContact OD1-CB 3.49Å; D354-D356 PolarHBondContact OD1-N 2.86Å; D354-I367 HydrophobicContact CB-CD1 3.84Å; D354-I367 HydrophobicContact CB-CG1 4.06Å | ||
| 355 | Y | 72.8 | Confident | 69.1 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 23% | 0.227 | 36% | 0.358 | C | S | . | . | trans | -102.7 | -22 | 175.8 | -71.3 | -78.5 | 0 | 0 | 0 | 111.4 | R268 I305 F322 I353 | R268-Y355 PolarHBondContact NH2-O 3.43Å; I305-Y355 HydrophobicContact CD1-CE2 4.19Å; F322-Y355 HydrophobicContact CE2-CD1 4.47Å; F322-Y355 HydrophobicContact CE2-CD2 4.36Å; F322-Y355 AromaticContact CE2-CE1 3.89Å; F322-Y355 HydrophobicContact CE2-CE1 3.89Å; F322-Y355 AromaticContact CE2-CE2 3.75Å; F322-Y355 HydrophobicContact CE2-CE2 3.75Å; F322-Y355 AromaticContact CE2-CZ 3.48Å; F322-Y355 VanDerWaalsContact CE2-CZ 3.48Å; F322-Y355 HydrophobicContact CZ-CD2 4.08Å; F322-Y355 AromaticContact CZ-CE2 3.77Å; F322-Y355 HydrophobicContact CZ-CE2 3.77Å; I353-Y355 HydrophobicContact CD1-CE2 4Å; I353-Y355 WeakPolarHBondContact CD1-OH 3.34Å; I353-Y355 HydrophobicContact CG1-CE2 4.37Å | ||
| 356 | D | 70.6 | Confident | 67.8 | Low | 14 Ų | 14 | 71.4 Ų | 71.4 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -65.6 | 157.9 | 173.5 | -59.2 | -24.6 | 0 | 0 | 0 | 110.8 | N300 E301 F302 D354 | N300-D356 VanDerWaalsContact CA-CG 3.48Å; N300-D356 WeakPolarHBondContact CA-OD2 3.19Å; N300-D356 HydrophobicContact CB-CB 4.5Å; N300-D356 WeakPolarHBondContact CB-OD2 3.34Å; N300-D356 PolarHBondContact ND2-OD2 3.44Å; E301-D356 PolarHBondContact N-OD1 2.66Å; E301-D356 PolarHBondContact N-OD2 2.98Å; E301-D356 VanDerWaalsContact N-OD2 3.14Å; F302-D356 WeakPolarHBondContact CB-OD1 3.22Å; F302-D356 WeakPolarHBondContact CD2-OD1 3.35Å; F302-D356 PolarHBondContact N-OD1 2.95Å; F302-D356 PolarHBondContact N-OD2 3.2Å; D354-D356 WeakPolarHBondContact OD1-CB 3.49Å; D354-D356 PolarHBondContact OD1-N 2.86Å |
| 357 | L | 66.4 | Low | 67.1 | Low | 110 Ų | 110 | 66.1 Ų | 66.1 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | trans | -79.8 | 130.1 | -178.8 | -156 | 77.7 | 0 | 0 | 0 | 110.5 | D298 M359 | D298-L357 HydrophobicContact CB-CB 3.85Å; D298-L357 PolarHBondContact OD1-N 2.91Å; D298-L357 VanDerWaalsContact OD1-N 3.1Å; D298-L357 PolarHBondContact OD2-N 2.91Å; L357-M359 PolarHBondContact O-N 2.75Å | ||
| 358 | S | 55.2 | Low | 66.9 | Low | 80 Ų | 80 | 66 Ų | 66 | 56% | 0.559 | 35% | 0.353 | S | S | * | . | trans | -55.6 | 108.8 | 178 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | S360 | S358-S360 PolarHBondContact O-N 3.17Š| ||
| 359 | M | 49.7 | Very low | 66.9 | Low | 120 Ų | 120 | 66.4 Ų | 66.4 | 59% | 0.591 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -71.3 | 11.7 | -156 | -111.2 | -67 | -62.9 | 0 | 0 | 116.8 | L357 | L357-M359 PolarHBondContact O-N 2.75Š|
| 360 | S | 44 | Very low | 66.9 | Low | 41 Ų | 41 | 66.2 Ų | 66.2 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | trans | -158.9 | 154.6 | 169 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | S358 E362 D365 | S358-S360 PolarHBondContact O-N 3.17Å; S360-E362 PolarHBondContact O-N 3.18Å; S360-E362 PolarHBondContact OG-N 3.25Å; S360-D365 WeakPolarHBondContact CB-OD2 3.14Å; S360-D365 PolarHBondContact N-OD2 3.1Å; S360-D365 PolarHBondContact OG-OD2 2.82Å | ||
| 361 | N | 43.8 | Very low | 66.9 | Low | 177 Ų | 177 | 68.3 Ų | 68.3 | 95% | 0.947 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -80.9 | 17.5 | 164.5 | -79.2 | -74.1 | 0 | 0 | 0 | 112.4 | ||
| 362 | E | 44 | Very low | 66.5 | Low | 152 Ų | 152 | 66.1 Ų | 66.1 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -121.2 | 50 | -173.6 | -65.1 | -160.7 | 153.7 | 0 | 0 | 113.1 | S360 T364 | S360-E362 PolarHBondContact O-N 3.18Å; S360-E362 PolarHBondContact OG-N 3.25Å; E362-T364 PolarHBondContact O-N 3.46Å; E362-T364 PolarHBondContact O-OG1 2.86Å |
| 363 | T | 42.1 | Very low | 65.6 | Low | 126 Ų | 126 | 70.1 Ų | 70.1 | 77% | 0.773 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 58.8 | 8.6 | 160 | 56.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 364 | T | 44.6 | Very low | 64.5 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | trans | -114.1 | -7.4 | -168.6 | 38.6 | 0 | 0 | 0 | 0 | 114.8 | E362 Q366 | E362-T364 PolarHBondContact O-N 3.46Å; E362-T364 PolarHBondContact O-OG1 2.86Å; T364-Q366 PolarHBondContact O-N 3.01Å | ||
| 365 | D | 49.9 | Very low | 63.5 | Low | 35 Ų | 35 | 75.4 Ų | 75.4 | 19% | 0.187 | 41% | 0.407 | C | S | . | . | trans | -101.9 | 63.3 | 176.4 | -53.8 | -81.2 | 0 | 0 | 0 | 110.2 | S360 | S360-D365 WeakPolarHBondContact CB-OD2 3.14Å; S360-D365 PolarHBondContact N-OD2 3.1Å; S360-D365 PolarHBondContact OG-OD2 2.82Å | ||
| 366 | Q | 64 | Low | 62.3 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 50% | 0.495 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -114.2 | 134.8 | 170.9 | -67.1 | -173.9 | -15.4 | 0 | 0 | 108.7 | T364 T368 | T364-Q366 PolarHBondContact O-N 3.01Å; Q366-T368 WeakPolarHBondContact O-CG2 3.1Å; Q366-T368 PolarHBondContact O-N 3Å; Q366-T368 VanDerWaalsContact O-N 3.14Å |
| 367 | I | 76.5 | Confident | 61.5 | Low | 31 Ų | 31 | 84.1 Ų | 84.1 | 16% | 0.159 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 120.5 | 177 | -51.9 | 166.6 | 0 | 0 | 0 | 108.8 | P304 A352 D354 A413 | P304-I367 HydrophobicContact CB-CD1 4.23Å; P304-I367 HydrophobicContact CB-CG1 4.36Å; P304-I367 HydrophobicContact CB-CG2 4.13Å; A352-I367 HydrophobicContact CB-CD1 4.15Å; A352-I367 HydrophobicContact CB-CG2 4.1Å; A352-I367 WeakPolarHBondContact O-CD1 3.49Å; D354-I367 HydrophobicContact CB-CD1 3.84Å; D354-I367 HydrophobicContact CB-CG1 4.06Å; I367-A413 HydrophobicContact CG2-CB 3.81Å |
| 368 | T | 85.9 | Confident | 60.9 | Low | 18 Ų | 18 | 88.4 Ų | 88.4 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.7 | -177.6 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | Q366 H370 S388 Q414 V418 | Q366-T368 WeakPolarHBondContact O-CG2 3.1Å; Q366-T368 PolarHBondContact O-N 3Å; Q366-T368 VanDerWaalsContact O-N 3.14Å; T368-H370 VanDerWaalsContact CB-NE2 3.27Å; T368-H370 WeakPolarHBondContact CB-NE2 3.29Å; T368-H370 PolarHBondContact OG1-NE2 3.14Å; T368-S388 WeakPolarHBondContact CA-O 3.29Å; T368-Q414 PolarHBondContact N-O 2.93Å; T368-Q414 PolarHBondContact O-N 2.85Å; T368-V418 HydrophobicContact CG2-CG2 3.8Å |
| 369 | Y | 88.9 | Confident | 61.4 | Low | 17 Ų | 17 | 88.6 Ų | 88.6 | 7% | 0.067 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.2 | -177.1 | -53.9 | -88 | 0 | 0 | 0 | 111.1 | F306 L350 A352 S388 I412 A413 | F306-Y369 HydrophobicContact CE1-CD1 4.04Å; F306-Y369 AromaticContact CE1-CE1 3.96Å; F306-Y369 HydrophobicContact CE1-CE1 3.96Å; F306-Y369 HydrophobicContact CZ-CD1 4.42Å; L350-Y369 HydrophobicContact CB-CE1 4.4Å; A352-Y369 HydrophobicContact CB-CE1 4.01Å; A352-Y369 PolarHBondContact N-OH 2.95Å; Y369-S388 PolarHBondContact N-O 2.94Å; Y369-S388 VanDerWaalsContact O-CA 3.26Å; Y369-S388 WeakPolarHBondContact O-CA 3.14Å; Y369-S388 VanDerWaalsContact O-CB 3.24Å; Y369-S388 WeakPolarHBondContact O-CB 3.01Å; Y369-I412 WeakPolarHBondContact CA-O 3.25Å; Y369-A413 HydrophobicContact CD1-CB 4.25Å; Y369-A413 HydrophobicContact CE1-CB 4.25Å |
| 370 | H | 87.9 | Confident | 62.5 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 30% | 0.296 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.6 | -179.1 | -52.7 | -84.2 | 0 | 0 | 0 | 111.6 | T368 I411 I412 | T368-H370 VanDerWaalsContact CB-NE2 3.27Å; T368-H370 WeakPolarHBondContact CB-NE2 3.29Å; T368-H370 PolarHBondContact OG1-NE2 3.14Å; H370-I411 CarbonylContact O-C 3.26Å; H370-I411 WeakPolarHBondContact O-CA 3.46Å; H370-I412 PolarHBondContact N-O 2.9Å; H370-I412 PolarHBondContact O-N 3.01Å |
| 371 | F | 87.6 | Confident | 64.1 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 138.5 | 163.4 | -62.7 | -59.2 | 0 | 0 | 0 | 110 | S373 T381 F384 L386 L393 L409 I411 | F371-S373 PolarHBondContact O-N 2.89Å; F371-T381 HydrophobicContact CD2-CG2 3.85Å; F371-T381 HydrophobicContact CE2-CG2 4.38Å; F371-T381 HydrophobicContact CG-CG2 4.43Å; F371-F384 HydrophobicContact CZ-CB 4.32Å; F371-L386 HydrophobicContact CD1-CD2 4.35Å; F371-L386 HydrophobicContact CD2-CB 4.49Å; F371-L386 HydrophobicContact CE1-CB 4.01Å; F371-L386 HydrophobicContact CE1-CD2 4.24Å; F371-L386 HydrophobicContact CE2-CB 3.77Å; F371-L386 HydrophobicContact CZ-CB 3.49Å; F371-L386 VanDerWaalsContact CZ-CB 3.49Å; F371-L386 HydrophobicContact CZ-CD2 4.49Å; F371-L393 HydrophobicContact CE1-CD1 4.33Å; F371-L393 HydrophobicContact CZ-CD1 4.14Å; F371-L409 HydrophobicContact CD1-CD2 4.37Å; F371-L409 HydrophobicContact CE1-CB 4.47Å; F371-L409 HydrophobicContact CE1-CD2 3.56Å; F371-L409 HydrophobicContact CZ-CD2 4.21Å; F371-I411 HydrophobicContact CD1-CD1 4.34Å; F371-I411 HydrophobicContact CD1-CG1 3.85Å; F371-I411 HydrophobicContact CE1-CD1 4.02Å; F371-I411 HydrophobicContact CE1-CG1 4.04Å |
| 372 | S | 80.3 | Confident | 65.8 | Low | 19 Ų | 19 | 80.4 Ų | 80.4 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | trans | -57.2 | 136.4 | 177.9 | -176 | 0 | 0 | 0 | 0 | 111.6 | N374 Q375 T410 | S372-N374 PolarHBondContact O-N 2.81Å; S372-N374 VanDerWaalsContact O-N 3.15Å; S372-Q375 WeakPolarHBondContact O-CA 3.24Å; S372-Q375 WeakPolarHBondContact O-CB 3.41Å; S372-Q375 PolarHBondContact O-N 2.93Å; S372-T410 WeakPolarHBondContact CB-O 3.42Å; S372-T410 PolarHBondContact N-O 3.48Å | ||
| 373 | S | 64.9 | Low | 67.8 | Low | 92 Ų | 92 | 74.4 Ų | 74.4 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -59.2 | -26.8 | 179.5 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | F371 Q375 | F371-S373 PolarHBondContact O-N 2.89Å; S373-Q375 PolarHBondContact O-N 2.92Å |
| 374 | N | 57.1 | Low | 70.2 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -76 | -4.6 | 173.9 | -69.8 | -20.7 | 0 | 0 | 0 | 113.6 | S372 | S372-N374 PolarHBondContact O-N 2.81Å; S372-N374 VanDerWaalsContact O-N 3.15Å |
| 375 | Q | 56.9 | Low | 72.4 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -104.6 | 26.9 | 174 | -67.6 | -156 | -37.5 | 0 | 0 | 113.5 | S372 S373 N377 R408 T410 | S372-Q375 WeakPolarHBondContact O-CA 3.24Å; S372-Q375 WeakPolarHBondContact O-CB 3.41Å; S372-Q375 PolarHBondContact O-N 2.93Å; S373-Q375 PolarHBondContact O-N 2.92Å; Q375-N377 PolarHBondContact O-N 3.44Å; Q375-R408 PolarHBondContact NE2-O 3.13Å; Q375-T410 PolarHBondContact NE2-OG1 3.33Å |
| 376 | M | 48.3 | Very low | 74.3 | Confident | 159 Ų | 159 | 68.2 Ų | 68.2 | 78% | 0.783 | 34% | 0.341 | S | S | * | . | trans | -70.6 | 36.3 | 164.2 | -75.8 | -161.3 | 164.8 | 0 | 0 | 113.7 | ||||
| 377 | N | 52.7 | Low | 75.5 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | trans | -72.3 | 125.2 | 154.6 | -170.2 | 36.1 | 0 | 0 | 0 | 107 | Q375 D379 V380 | Q375-N377 PolarHBondContact O-N 3.44Å; N377-D379 PolarHBondContact ND2-OD2 2.85Å; N377-D379 PolarHBondContact O-N 3.36Å; N377-D379 VanDerWaalsContact O-N 3.16Å; N377-V380 PolarHBondContact O-N 2.64Å | ||
| 378 | W | 55.3 | Low | 76 | Confident | 199 Ų | 199 | 66.6 Ų | 66.6 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.7 | -38.2 | -166.5 | -69.7 | -17 | 0 | 0 | 0 | 112.4 | V380 T381 H382 | W378-V380 VanDerWaalsContact C-N 3.35Å; W378-V380 PolarHBondContact O-N 3.24Å; W378-T381 PolarHBondContact O-N 3.07Å; W378-T381 PolarHBondContact O-OG1 3.48Å; W378-H382 WeakPolarHBondContact O-CB 3.39Å; W378-H382 PolarHBondContact O-N 3.31Å; W378-H382 PolarHBondContact O-ND1 3.02Å |
| 379 | D | 64.4 | Low | 75.9 | Confident | 85 Ų | 85 | 72.2 Ų | 72.2 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -44.6 | -51.2 | -178.8 | -43.7 | -23.9 | 0 | 0 | 0 | 113.5 | N377 H382 I383 | N377-D379 PolarHBondContact ND2-OD2 2.85Å; N377-D379 PolarHBondContact O-N 3.36Å; N377-D379 VanDerWaalsContact O-N 3.16Å; D379-H382 PolarHBondContact O-N 2.81Å; D379-I383 HydrophobicContact CB-CD1 4.49Å; D379-I383 WeakPolarHBondContact O-CB 3.35Å; D379-I383 WeakPolarHBondContact O-CD1 3.44Å; D379-I383 VanDerWaalsContact O-CG1 3.25Å; D379-I383 WeakPolarHBondContact O-CG1 3.32Å; D379-I383 PolarHBondContact O-N 2.89Å |
| 380 | V | 73.7 | Confident | 75.8 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -44.7 | -171.5 | -176.5 | 0 | 0 | 0 | 0 | 112 | N377 W378 H382 I383 F384 L409 | N377-V380 PolarHBondContact O-N 2.64Å; W378-V380 VanDerWaalsContact C-N 3.35Å; W378-V380 PolarHBondContact O-N 3.24Å; V380-H382 VanDerWaalsContact C-N 3.33Å; V380-I383 PolarHBondContact O-N 3.15Å; V380-F384 HydrophobicContact CG1-CD2 4.31Å; V380-F384 PolarHBondContact O-N 3.46Å; V380-L409 HydrophobicContact CG1-CD2 3.72Å; V380-L409 HydrophobicContact CG1-CG 3.93Å |
| 381 | T | 76.6 | Confident | 75.7 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -83 | -11.4 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | F371 W378 K396 | F371-T381 HydrophobicContact CD2-CG2 3.85Å; F371-T381 HydrophobicContact CE2-CG2 4.38Å; F371-T381 HydrophobicContact CG-CG2 4.43Å; W378-T381 PolarHBondContact O-N 3.07Å; W378-T381 PolarHBondContact O-OG1 3.48Å; T381-K396 PolarHBondContact O-NZ 2.85Å |
| 382 | H | 81.3 | Confident | 75.9 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -77.1 | -50.9 | 163.7 | -75.2 | 70.5 | 0 | 0 | 0 | 110.5 | W378 D379 V380 K396 H397 | W378-H382 WeakPolarHBondContact O-CB 3.39Å; W378-H382 PolarHBondContact O-N 3.31Å; W378-H382 PolarHBondContact O-ND1 3.02Å; D379-H382 PolarHBondContact O-N 2.81Å; V380-H382 VanDerWaalsContact C-N 3.33Å; H382-K396 VanDerWaalsContact O-CD 3.29Å; H382-K396 WeakPolarHBondContact O-CD 3.38Å; H382-K396 WeakPolarHBondContact O-CE 3.4Å; H382-K396 PolarHBondContact O-NZ 2.85Å; H382-H397 PolarHBondContact O-CD2 2.64Å |
| 383 | I | 85.9 | Confident | 76.4 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -77.5 | -35.1 | -170.2 | -64.6 | 164.8 | 0 | 0 | 0 | 113.4 | D379 V380 L395 K396 H397 L399 Y407 | D379-I383 HydrophobicContact CB-CD1 4.49Å; D379-I383 WeakPolarHBondContact O-CB 3.35Å; D379-I383 WeakPolarHBondContact O-CD1 3.44Å; D379-I383 VanDerWaalsContact O-CG1 3.25Å; D379-I383 WeakPolarHBondContact O-CG1 3.32Å; D379-I383 PolarHBondContact O-N 2.89Å; V380-I383 PolarHBondContact O-N 3.15Å; I383-L395 HydrophobicContact CG2-CD1 4.07Å; I383-K396 WeakPolarHBondContact O-CA 3.39Å; I383-K396 WeakPolarHBondContact O-CB 3.36Å; I383-K396 PolarHBondContact O-N 3.43Å; I383-H397 PolarHBondContact O-N 2.9Å; I383-L399 HydrophobicContact CG2-CD2 3.83Å; I383-Y407 HydrophobicContact CD1-CE1 3.67Å; I383-Y407 WeakPolarHBondContact CD1-OH 3.4Å |
| 384 | F | 91 | Very high | 77.7 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.7 | -178.4 | -54.5 | -75.9 | 0 | 0 | 0 | 113 | I347 F371 V380 L393 L395 L399 Y407 L409 I452 | I347-F384 HydrophobicContact CD1-CD1 3.63Å; I347-F384 HydrophobicContact CD1-CE1 3.53Å; F371-F384 HydrophobicContact CZ-CB 4.32Å; V380-F384 HydrophobicContact CG1-CD2 4.31Å; V380-F384 PolarHBondContact O-N 3.46Å; F384-L393 HydrophobicContact CB-CD1 4.19Å; F384-L395 HydrophobicContact CD1-CD1 4.08Å; F384-L395 HydrophobicContact CE1-CD1 3.81Å; F384-L399 HydrophobicContact CE1-CD2 4.08Å; F384-L399 HydrophobicContact CZ-CD2 3.85Å; F384-Y407 AromaticContact CE2-CD1 3.62Å; F384-Y407 HydrophobicContact CE2-CD1 3.62Å; F384-Y407 HydrophobicContact CE2-CD2 4.02Å; F384-Y407 HydrophobicContact CE2-CE1 4.09Å; F384-Y407 HydrophobicContact CE2-CE2 4.48Å; F384-Y407 AromaticContact CE2-CG 3.55Å; F384-Y407 HydrophobicContact CE2-CG 3.55Å; F384-Y407 HydrophobicContact CZ-CD1 4.22Å; F384-Y407 AromaticContact CZ-CD2 3.77Å; F384-Y407 HydrophobicContact CZ-CD2 3.77Å; F384-Y407 HydrophobicContact CZ-CE2 4.18Å; F384-Y407 AromaticContact CZ-CG 3.78Å; F384-Y407 HydrophobicContact CZ-CG 3.78Å; F384-L409 HydrophobicContact CB-CD2 4.14Å; F384-L409 HydrophobicContact CD2-CD2 3.78Å; F384-L409 HydrophobicContact CE2-CD2 4.45Å; F384-L409 HydrophobicContact CG-CD2 4.02Å; F384-I452 HydrophobicContact CD1-CD1 3.93Å; F384-I452 HydrophobicContact CE1-CD1 3.51Å; F384-I452 HydrophobicContact CE2-CD1 4.34Å; F384-I452 HydrophobicContact CZ-CD1 3.74Å |
| 385 | H | 90.5 | Very high | 79.3 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.9 | 171.2 | 171.8 | -77.2 | 0 | 0 | 0 | 109.7 | T394 | H385-T394 PolarHBondContact N-O 2.8Å; H385-T394 PolarHBondContact ND1-OG1 3.47Å; H385-T394 PolarHBondContact O-N 3.33Å; H385-T394 PolarHBondContact O-OG1 3.26Å |
| 386 | L | 91 | Very high | 80.8 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 173.6 | 176.2 | 66.2 | 0 | 0 | 0 | 108.8 | F371 S388 L393 I411 | F371-L386 HydrophobicContact CD1-CD2 4.35Å; F371-L386 HydrophobicContact CD2-CB 4.49Å; F371-L386 HydrophobicContact CE1-CB 4.01Å; F371-L386 HydrophobicContact CE1-CD2 4.24Å; F371-L386 HydrophobicContact CE2-CB 3.77Å; F371-L386 HydrophobicContact CZ-CB 3.49Å; F371-L386 VanDerWaalsContact CZ-CB 3.49Å; F371-L386 HydrophobicContact CZ-CD2 4.49Å; L386-S388 PolarHBondContact O-N 2.86Å; L386-L393 HydrophobicContact CB-CD1 4.18Å; L386-L393 HydrophobicContact CD1-CD1 4.37Å; L386-I411 HydrophobicContact CD1-CD1 4.13Å; L386-I411 HydrophobicContact CD2-CB 4.49Å; L386-I411 HydrophobicContact CD2-CD1 3.84Å; L386-I411 HydrophobicContact CD2-CG1 3.96Å; L386-I411 HydrophobicContact CD2-CG2 3.73Å |
| 387 | D | 89.1 | Confident | 82.6 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | trans | -72.6 | 117.7 | 167.6 | 179.6 | -27.9 | 0 | 0 | 0 | 109.2 | Q389 T390 G391 I392 | D387-Q389 VanDerWaalsContact C-N 3.27Å; D387-Q389 PolarHBondContact O-N 2.96Å; D387-Q389 PolarHBondContact OD1-N 2.72Å; D387-T390 WeakPolarHBondContact CB-OG1 3.46Å; D387-T390 PolarHBondContact OD1-N 2.82Å; D387-T390 PolarHBondContact OD1-OG1 2.92Å; D387-T390 WeakPolarHBondContact OD2-CB 3.37Å; D387-T390 VanDerWaalsContact OD2-CG2 3.29Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.49Å; D387-T390 PolarHBondContact OD2-OG1 2.88Å; D387-G391 WeakPolarHBondContact O-CA 3.47Å; D387-G391 PolarHBondContact O-N 2.74Å; D387-I392 HydrophobicContact CB-CB 4.29Å; D387-I392 PolarHBondContact N-O 3.02Å | ||
| 388 | S | 87.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.2 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | T368 Y369 L386 | T368-S388 WeakPolarHBondContact CA-O 3.29Å; Y369-S388 PolarHBondContact N-O 2.94Å; Y369-S388 VanDerWaalsContact O-CA 3.26Å; Y369-S388 WeakPolarHBondContact O-CA 3.14Å; Y369-S388 VanDerWaalsContact O-CB 3.24Å; Y369-S388 WeakPolarHBondContact O-CB 3.01Å; L386-S388 PolarHBondContact O-N 2.86Å |
| 389 | Q | 83.8 | Confident | 85.9 | Confident | 136 Ų | 136 | 48.9 Ų | 48.9 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -44.4 | 175.9 | -67.2 | -178.5 | -22.5 | 0 | 0 | 111.5 | D387 | D387-Q389 VanDerWaalsContact C-N 3.27Å; D387-Q389 PolarHBondContact O-N 2.96Å; D387-Q389 PolarHBondContact OD1-N 2.72Å |
| 390 | T | 85.7 | Confident | 87.1 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 32% | 0.319 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.9 | -175.4 | 72.5 | 0 | 0 | 0 | 0 | 114 | Q349 D387 I392 | Q349-T390 WeakPolarHBondContact CG-O 3.47Å; Q349-T390 PolarHBondContact NE2-O 2.83Å; D387-T390 WeakPolarHBondContact CB-OG1 3.46Å; D387-T390 PolarHBondContact OD1-N 2.82Å; D387-T390 PolarHBondContact OD1-OG1 2.92Å; D387-T390 WeakPolarHBondContact OD2-CB 3.37Å; D387-T390 VanDerWaalsContact OD2-CG2 3.29Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.49Å; D387-T390 PolarHBondContact OD2-OG1 2.88Å; T390-I392 PolarHBondContact O-N 2.98Å; T390-I392 WeakPolarHBondContact OG1-CB 3.39Å; T390-I392 WeakPolarHBondContact OG1-CD1 3.42Å; T390-I392 VanDerWaalsContact OG1-CG1 3.23Å; T390-I392 WeakPolarHBondContact OG1-CG1 3.27Å; T390-I392 PolarHBondContact OG1-N 3.37Å |
| 391 | G | 86.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 68.8 | 10.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q349 L350 D387 | Q349-G391 WeakPolarHBondContact CA-O 3.4Å; L350-G391 PolarHBondContact N-O 3.19Å; D387-G391 WeakPolarHBondContact O-CA 3.47Å; D387-G391 PolarHBondContact O-N 2.74Å | ||
| 392 | I | 90.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 18% | 0.179 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.8 | 178.7 | -68.2 | 173.1 | 0 | 0 | 0 | 110 | R346 Q349 D387 T390 T394 | R346-I392 HydrophobicContact CG-CG2 3.96Å; Q349-I392 HydrophobicContact CB-CG1 4.03Å; Q349-I392 HydrophobicContact CG-CG1 3.77Å; D387-I392 HydrophobicContact CB-CB 4.29Å; D387-I392 PolarHBondContact N-O 3.02Å; T390-I392 PolarHBondContact O-N 2.98Å; T390-I392 WeakPolarHBondContact OG1-CB 3.39Å; T390-I392 WeakPolarHBondContact OG1-CD1 3.42Å; T390-I392 VanDerWaalsContact OG1-CG1 3.23Å; T390-I392 WeakPolarHBondContact OG1-CG1 3.27Å; T390-I392 PolarHBondContact OG1-N 3.37Å; I392-T394 HydrophobicContact CG2-CG2 4.07Å |
| 393 | L | 90.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.1 | 178.1 | -169.8 | 63.5 | 0 | 0 | 0 | 109.7 | I347 G348 F371 F384 L386 L409 I450 I452 | I347-L393 PolarHBondContact N-O 2.57Å; G348-L393 PolarHBondContact N-O 3.34Å; G348-L393 PolarHBondContact O-N 2.9Å; G348-L393 VanDerWaalsContact O-N 3.08Å; F371-L393 HydrophobicContact CE1-CD1 4.33Å; F371-L393 HydrophobicContact CZ-CD1 4.14Å; F384-L393 HydrophobicContact CB-CD1 4.19Å; L386-L393 HydrophobicContact CB-CD1 4.18Å; L386-L393 HydrophobicContact CD1-CD1 4.37Å; L393-L409 HydrophobicContact CD1-CD2 4.44Å; L393-I450 HydrophobicContact CD2-CG2 4.47Å; L393-I452 HydrophobicContact CD2-CD1 3.94Å |
| 394 | T | 92.2 | Very high | 88.6 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153 | 179.3 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | S345 R346 H385 I392 | S345-T394 VanDerWaalsContact O-CA 3.3Å; S345-T394 WeakPolarHBondContact O-CA 3.24Å; R346-T394 HydrophobicContact CB-CG2 4.35Å; H385-T394 PolarHBondContact N-O 2.8Å; H385-T394 PolarHBondContact ND1-OG1 3.47Å; H385-T394 PolarHBondContact O-N 3.33Å; H385-T394 PolarHBondContact O-OG1 3.26Å; I392-T394 HydrophobicContact CG2-CG2 4.07Å |
| 395 | L | 92 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.6 | 174.6 | -171.4 | 64.6 | 0 | 0 | 0 | 110.7 | L341 G344 S345 I347 I383 F384 H397 L399 | L341-L395 HydrophobicContact CB-CD2 4.13Å; L341-L395 HydrophobicContact CD2-CD2 4.16Å; L341-L395 HydrophobicContact CG-CD2 4.22Å; L341-L395 WeakPolarHBondContact O-CD2 3.44Å; G344-L395 WeakPolarHBondContact CA-O 3.26Å; G344-L395 PolarHBondContact N-O 2.86Å; S345-L395 PolarHBondContact O-N 2.72Å; I347-L395 HydrophobicContact CD1-CB 4.22Å; I347-L395 HydrophobicContact CD1-CD1 4.41Å; I383-L395 HydrophobicContact CG2-CD1 4.07Å; F384-L395 HydrophobicContact CD1-CD1 4.08Å; F384-L395 HydrophobicContact CE1-CD1 3.81Å; L395-H397 WeakPolarHBondContact CD1-O 3.47Å; L395-H397 WeakPolarHBondContact CG-O 3.44Å; L395-L399 HydrophobicContact CD1-CD1 4.19Å; L395-L399 HydrophobicContact CD1-CD2 3.71Å; L395-L399 HydrophobicContact CD1-CG 3.68Å; L395-L399 HydrophobicContact CD2-CD1 4.28Å; L395-L399 HydrophobicContact CD2-CG 4.03Å |
| 396 | K | 87.8 | Confident | 88.3 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | trans | -112.3 | -26.8 | -174.4 | -172.1 | -178.2 | 127 | -162.7 | 0 | 113.6 | I343 T381 H382 I383 | I343-K396 VanDerWaalsContact CG2-O 3.3Å; I343-K396 WeakPolarHBondContact CG2-O 3.37Å; T381-K396 PolarHBondContact O-NZ 2.85Å; H382-K396 VanDerWaalsContact O-CD 3.29Å; H382-K396 WeakPolarHBondContact O-CD 3.38Å; H382-K396 WeakPolarHBondContact O-CE 3.4Å; H382-K396 PolarHBondContact O-NZ 2.85Å; I383-K396 WeakPolarHBondContact O-CA 3.39Å; I383-K396 WeakPolarHBondContact O-CB 3.36Å; I383-K396 PolarHBondContact O-N 3.43Å | ||
| 397 | H | 86.4 | Confident | 88.2 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -132.6 | 161.2 | 170.8 | -72.8 | -106.9 | 0 | 0 | 0 | 109.1 | H382 I383 L395 | H382-H397 PolarHBondContact O-CD2 2.64Å; I383-H397 PolarHBondContact O-N 2.9Å; L395-H397 WeakPolarHBondContact CD1-O 3.47Å; L395-H397 WeakPolarHBondContact CG-O 3.44Å |
| 398 | S | 87.2 | Confident | 88.1 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 57% | 0.573 | 29% | 0.287 | S | S | * | . | trans | -56 | 143.2 | 174.8 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 399 | L | 89.8 | Confident | 88.1 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | trans | -81.6 | 166.1 | 166.5 | -64.5 | 173.6 | 0 | 0 | 0 | 109.8 | V337 E339 I383 F384 L395 Y407 V454 | V337-L399 HydrophobicContact CB-CD1 4.31Å; V337-L399 HydrophobicContact CG1-CD1 3.57Å; E339-L399 HydrophobicContact CB-CB 3.99Å; I383-L399 HydrophobicContact CG2-CD2 3.83Å; F384-L399 HydrophobicContact CE1-CD2 4.08Å; F384-L399 HydrophobicContact CZ-CD2 3.85Å; L395-L399 HydrophobicContact CD1-CD1 4.19Å; L395-L399 HydrophobicContact CD1-CD2 3.71Å; L395-L399 HydrophobicContact CD1-CG 3.68Å; L395-L399 HydrophobicContact CD2-CD1 4.28Å; L395-L399 HydrophobicContact CD2-CG 4.03Å; L399-Y407 HydrophobicContact CD2-CD2 4.49Å; L399-Y407 HydrophobicContact CD2-CE2 3.8Å; L399-V454 HydrophobicContact CB-CG1 4.45Å; L399-V454 HydrophobicContact CD1-CG2 4.35Å; L399-V454 HydrophobicContact CD2-CG2 4.48Å | ||
| 400 | D | 89.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | trans | -159.2 | 110.4 | -175.7 | 167.8 | -20.9 | 0 | 0 | 0 | 104.8 | E402 S403 V404 | D400-E402 PolarHBondContact OD1-N 2.91Å; D400-S403 VanDerWaalsContact OD1-CB 3.26Å; D400-S403 WeakPolarHBondContact OD1-CB 3.49Å; D400-S403 PolarHBondContact OD1-N 2.93Å; D400-S403 PolarHBondContact OD1-OG 3.46Å; D400-S403 WeakPolarHBondContact OD2-CB 3.29Å; D400-S403 PolarHBondContact OD2-OG 2.99Å; D400-V404 PolarHBondContact O-N 3.08Å; D400-V404 VanDerWaalsContact O-N 3.1Å | ||
| 401 | Y | 89.7 | Confident | 88.4 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.6 | -175.9 | 177.8 | -108.9 | 0 | 0 | 0 | 110.3 | E339 S403 V404 K405 V454 D456 T517 | E339-Y401 WeakPolarHBondContact OE1-CB 3.35Å; E339-Y401 WeakPolarHBondContact OE2-CB 3.37Å; E339-Y401 PolarHBondContact OE2-N 3.48Å; Y401-S403 VanDerWaalsContact C-N 3.31Å; Y401-S403 PolarHBondContact O-N 3.15Å; Y401-V404 CarbonylContact O-C 3.32Å; Y401-V404 PolarHBondContact O-N 3.45Å; Y401-K405 HydrophobicContact CD1-CD 4.34Å; Y401-K405 HydrophobicContact CD1-CG 4.24Å; Y401-K405 HydrophobicContact CD2-CB 3.9Å; Y401-K405 HydrophobicContact CD2-CD 4.41Å; Y401-K405 HydrophobicContact CD2-CG 3.68Å; Y401-K405 HydrophobicContact CE1-CD 3.83Å; Y401-K405 HydrophobicContact CE1-CG 4.11Å; Y401-K405 HydrophobicContact CE2-CB 3.65Å; Y401-K405 HydrophobicContact CE2-CD 3.93Å; Y401-K405 HydrophobicContact CE2-CG 3.55Å; Y401-K405 HydrophobicContact CG-CG 4.01Å; Y401-K405 WeakPolarHBondContact O-CG 3.3Å; Y401-K405 PolarHBondContact O-N 3.16Å; Y401-K405 PolarHBondContact O-NZ 2.99Å; Y401-V454 HydrophobicContact CD2-CB 3.94Å; Y401-V454 HydrophobicContact CD2-CG1 4.04Å; Y401-V454 WeakPolarHBondContact CD2-O 3.23Å; Y401-V454 WeakPolarHBondContact CE2-O 3.4Å; Y401-V454 HydrophobicContact CG-CG1 4.41Å; Y401-D456 HydrophobicContact CD1-CB 3.93Å; Y401-D456 WeakPolarHBondContact CD1-OD1 2.84Å; Y401-D456 HydrophobicContact CE1-CB 3.82Å; Y401-D456 WeakPolarHBondContact CE1-OD1 3.14Å; Y401-D456 HydrophobicContact CG-CB 4.4Å; Y401-T517 HydrophobicContact CE1-CG2 3.77Å; Y401-T517 VanDerWaalsContact CE1-OG1 3.31Å; Y401-T517 WeakPolarHBondContact CE1-OG1 3.42Å; Y401-T517 PolarHBondContact OH-OG1 3.39Å; Y401-T517 VanDerWaalsContact OH-OG1 3.11Å |
| 402 | E | 87.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -41.6 | 179.4 | -80 | 48.5 | -97.5 | 0 | 0 | 111.7 | D400 K405 N460 R515 | D400-E402 PolarHBondContact OD1-N 2.91Å; E402-K405 IonicContact OE1-NZ 2.91Å; E402-K405 PolarHBondContact OE1-NZ 3.33Å; E402-N460 PolarHBondContact OE2-ND2 3.48Å; E402-R515 HydrophobicContact CG-CB 3.41Å; E402-R515 VanDerWaalsContact CG-CB 3.41Å |
| 403 | S | 86.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 57% | 0.573 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -50.8 | 175.4 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | D400 Y401 | D400-S403 VanDerWaalsContact OD1-CB 3.26Å; D400-S403 WeakPolarHBondContact OD1-CB 3.49Å; D400-S403 PolarHBondContact OD1-N 2.93Å; D400-S403 PolarHBondContact OD1-OG 3.46Å; D400-S403 WeakPolarHBondContact OD2-CB 3.29Å; D400-S403 PolarHBondContact OD2-OG 2.99Å; Y401-S403 VanDerWaalsContact C-N 3.31Å; Y401-S403 PolarHBondContact O-N 3.15Å |
| 404 | V | 84.9 | Confident | 88.1 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | trans | -147.7 | 93.8 | -175.3 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | D400 Y401 N406 Y407 V454 | D400-V404 PolarHBondContact O-N 3.08Å; D400-V404 VanDerWaalsContact O-N 3.1Å; Y401-V404 CarbonylContact O-C 3.32Å; Y401-V404 PolarHBondContact O-N 3.45Å; V404-N406 VanDerWaalsContact C-N 3.29Å; V404-N406 PolarHBondContact O-N 3.21Å; V404-Y407 HydrophobicContact CB-CE1 3.93Å; V404-Y407 HydrophobicContact CB-CE2 3.83Å; V404-Y407 VanDerWaalsContact CB-CZ 3.48Å; V404-Y407 WeakPolarHBondContact CB-OH 3.38Å; V404-Y407 HydrophobicContact CG1-CD1 3.89Å; V404-Y407 HydrophobicContact CG1-CD2 4.05Å; V404-Y407 HydrophobicContact CG1-CE1 3.65Å; V404-Y407 HydrophobicContact CG1-CE2 3.8Å; V404-Y407 HydrophobicContact CG1-CG 4.1Å; V404-Y407 HydrophobicContact CG2-CE1 4.16Å; V404-Y407 WeakPolarHBondContact O-CE2 3.3Å; V404-V454 WeakPolarHBondContact O-CG2 3.31Å | ||
| 405 | K | 87.9 | Confident | 87.3 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.2 | -20.8 | -178.9 | -58.2 | -176.3 | -172.5 | -78.3 | 0 | 115.1 | Y401 E402 V454 | Y401-K405 HydrophobicContact CD1-CD 4.34Å; Y401-K405 HydrophobicContact CD1-CG 4.24Å; Y401-K405 HydrophobicContact CD2-CB 3.9Å; Y401-K405 HydrophobicContact CD2-CD 4.41Å; Y401-K405 HydrophobicContact CD2-CG 3.68Å; Y401-K405 HydrophobicContact CE1-CD 3.83Å; Y401-K405 HydrophobicContact CE1-CG 4.11Å; Y401-K405 HydrophobicContact CE2-CB 3.65Å; Y401-K405 HydrophobicContact CE2-CD 3.93Å; Y401-K405 HydrophobicContact CE2-CG 3.55Å; Y401-K405 HydrophobicContact CG-CG 4.01Å; Y401-K405 WeakPolarHBondContact O-CG 3.3Å; Y401-K405 PolarHBondContact O-N 3.16Å; Y401-K405 PolarHBondContact O-NZ 2.99Å; E402-K405 IonicContact OE1-NZ 2.91Å; E402-K405 PolarHBondContact OE1-NZ 3.33Å; K405-V454 PolarHBondContact O-N 2.76Å; K405-V454 VanDerWaalsContact O-N 3.09Å |
| 406 | N | 87.8 | Confident | 85.9 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 125.6 | 178.5 | -178.8 | 18.3 | 0 | 0 | 0 | 112.3 | V404 I452 | V404-N406 VanDerWaalsContact C-N 3.29Å; V404-N406 PolarHBondContact O-N 3.21Å; N406-I452 WeakPolarHBondContact CA-O 3.35Å; N406-I452 PolarHBondContact OD1-O 2.75Å |
| 407 | Y | 88 | Confident | 84.4 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.9 | 172.6 | -62.2 | -95.3 | 0 | 0 | 0 | 110.4 | I383 F384 L399 V404 L409 I452 V454 | I383-Y407 HydrophobicContact CD1-CE1 3.67Å; I383-Y407 WeakPolarHBondContact CD1-OH 3.4Å; F384-Y407 AromaticContact CE2-CD1 3.62Å; F384-Y407 HydrophobicContact CE2-CD1 3.62Å; F384-Y407 HydrophobicContact CE2-CD2 4.02Å; F384-Y407 HydrophobicContact CE2-CE1 4.09Å; F384-Y407 HydrophobicContact CE2-CE2 4.48Å; F384-Y407 AromaticContact CE2-CG 3.55Å; F384-Y407 HydrophobicContact CE2-CG 3.55Å; F384-Y407 HydrophobicContact CZ-CD1 4.22Å; F384-Y407 AromaticContact CZ-CD2 3.77Å; F384-Y407 HydrophobicContact CZ-CD2 3.77Å; F384-Y407 HydrophobicContact CZ-CE2 4.18Å; F384-Y407 AromaticContact CZ-CG 3.78Å; F384-Y407 HydrophobicContact CZ-CG 3.78Å; L399-Y407 HydrophobicContact CD2-CD2 4.49Å; L399-Y407 HydrophobicContact CD2-CE2 3.8Å; V404-Y407 HydrophobicContact CB-CE1 3.93Å; V404-Y407 HydrophobicContact CB-CE2 3.83Å; V404-Y407 VanDerWaalsContact CB-CZ 3.48Å; V404-Y407 WeakPolarHBondContact CB-OH 3.38Å; V404-Y407 HydrophobicContact CG1-CD1 3.89Å; V404-Y407 HydrophobicContact CG1-CD2 4.05Å; V404-Y407 HydrophobicContact CG1-CE1 3.65Å; V404-Y407 HydrophobicContact CG1-CE2 3.8Å; V404-Y407 HydrophobicContact CG1-CG 4.1Å; V404-Y407 HydrophobicContact CG2-CE1 4.16Å; V404-Y407 WeakPolarHBondContact O-CE2 3.3Å; Y407-L409 WeakPolarHBondContact O-CD1 3.41Å; Y407-I452 PolarHBondContact N-O 2.79Å; Y407-I452 PolarHBondContact O-N 3.47Å; Y407-V454 HydrophobicContact CD2-CG2 3.96Å; Y407-V454 HydrophobicContact CE2-CG2 3.77Å |
| 408 | R | 87.1 | Confident | 82.2 | Confident | 133 Ų | 133 | 44.5 Ų | 44.5 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.4 | 171.3 | 178 | 165 | -69.1 | 145 | 5.9 | 110.4 | Q375 L449 I450 D451 | Q375-R408 PolarHBondContact NE2-O 3.13Å; R408-L449 HydrophobicContact CG-CD2 4.39Å; R408-I450 CarbonylContact C-O 3.57Å; R408-I450 WeakPolarHBondContact CA-O 3.48Å; R408-D451 WeakPolarHBondContact CG-OD1 3.45Å; R408-D451 IonicContact CZ-OD1 2.73Å; R408-D451 IonicContact CZ-OD2 3.6Å; R408-D451 IonicContact NE-OD1 2.88Å; R408-D451 PolarHBondContact NE-OD1 3.41Å; R408-D451 IonicContact NE-OD2 3.47Å; R408-D451 IonicContact NH2-OD1 2.73Å; R408-D451 PolarHBondContact NH2-OD1 2.71Å; R408-D451 IonicContact NH2-OD2 2.77Å; R408-D451 PolarHBondContact NH2-OD2 3.33Å |
| 409 | L | 87.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129 | 176.3 | -48.7 | 89.2 | 0 | 0 | 0 | 109.6 | F371 V380 F384 L393 Y407 I411 I450 I452 | F371-L409 HydrophobicContact CD1-CD2 4.37Å; F371-L409 HydrophobicContact CE1-CB 4.47Å; F371-L409 HydrophobicContact CE1-CD2 3.56Å; F371-L409 HydrophobicContact CZ-CD2 4.21Å; V380-L409 HydrophobicContact CG1-CD2 3.72Å; V380-L409 HydrophobicContact CG1-CG 3.93Å; F384-L409 HydrophobicContact CB-CD2 4.14Å; F384-L409 HydrophobicContact CD2-CD2 3.78Å; F384-L409 HydrophobicContact CE2-CD2 4.45Å; F384-L409 HydrophobicContact CG-CD2 4.02Å; L393-L409 HydrophobicContact CD1-CD2 4.44Å; Y407-L409 WeakPolarHBondContact O-CD1 3.41Å; L409-I411 HydrophobicContact CB-CG1 4.43Å; L409-I450 HydrophobicContact CB-CB 4.29Å; L409-I450 HydrophobicContact CD1-CB 4.36Å; L409-I450 HydrophobicContact CD1-CG2 4.41Å; L409-I450 PolarHBondContact N-O 3.06Å; L409-I450 PolarHBondContact O-N 2.82Å; L409-I452 HydrophobicContact CD1-CB 4.43Å; L409-I452 HydrophobicContact CD1-CD1 3.46Å; L409-I452 VanDerWaalsContact CD1-CD1 3.46Å; L409-I452 HydrophobicContact CD1-CG1 3.63Å |
| 410 | T | 87.5 | Confident | 77.4 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 102.4 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 107.2 | S372 Q375 T447 A448 L449 | S372-T410 WeakPolarHBondContact CB-O 3.42Å; S372-T410 PolarHBondContact N-O 3.48Å; Q375-T410 PolarHBondContact NE2-OG1 3.33Å; T410-T447 HydrophobicContact CG2-CG2 3.46Å; T410-T447 VanDerWaalsContact CG2-CG2 3.46Å; T410-A448 WeakPolarHBondContact CA-O 3.25Å; T410-L449 HydrophobicContact CG2-CD2 4.17Å; T410-L449 WeakPolarHBondContact OG1-CD2 3.48Å |
| 411 | I | 89.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.1 | -178.6 | -67.4 | 173 | 0 | 0 | 0 | 108.9 | F306 L350 H370 F371 L386 L409 A448 I450 | F306-I411 HydrophobicContact CZ-CG2 4.27Å; L350-I411 HydrophobicContact CD1-CB 4.14Å; L350-I411 HydrophobicContact CD1-CD1 3.7Å; L350-I411 HydrophobicContact CD1-CG2 3.9Å; H370-I411 CarbonylContact O-C 3.26Å; H370-I411 WeakPolarHBondContact O-CA 3.46Å; F371-I411 HydrophobicContact CD1-CD1 4.34Å; F371-I411 HydrophobicContact CD1-CG1 3.85Å; F371-I411 HydrophobicContact CE1-CD1 4.02Å; F371-I411 HydrophobicContact CE1-CG1 4.04Å; L386-I411 HydrophobicContact CD1-CD1 4.13Å; L386-I411 HydrophobicContact CD2-CB 4.49Å; L386-I411 HydrophobicContact CD2-CD1 3.84Å; L386-I411 HydrophobicContact CD2-CG1 3.96Å; L386-I411 HydrophobicContact CD2-CG2 3.73Å; L409-I411 HydrophobicContact CB-CG1 4.43Å; I411-A448 PolarHBondContact N-O 3.39Å; I411-A448 PolarHBondContact O-N 2.76Å; I411-I450 HydrophobicContact CD1-CG1 4.01Å |
| 412 | I | 88.7 | Confident | 71.8 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.7 | 179.5 | -56.8 | -178.4 | 0 | 0 | 0 | 107.4 | Y369 H370 Q414 S446 | Y369-I412 WeakPolarHBondContact CA-O 3.25Å; H370-I412 PolarHBondContact N-O 2.9Å; H370-I412 PolarHBondContact O-N 3.01Å; I412-Q414 HydrophobicContact CG2-CB 4.5Å; I412-S446 WeakPolarHBondContact CA-O 3.26Å |
| 413 | A | 88 | Confident | 69 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F306 A352 I367 Y369 S445 S446 | F306-A413 HydrophobicContact CD2-CB 4.33Å; F306-A413 HydrophobicContact CE1-CB 4.01Å; F306-A413 HydrophobicContact CE2-CB 3.55Å; F306-A413 HydrophobicContact CZ-CB 3.37Å; A352-A413 HydrophobicContact CB-CB 3.8Å; I367-A413 HydrophobicContact CG2-CB 3.81Å; Y369-A413 HydrophobicContact CD1-CB 4.25Å; Y369-A413 HydrophobicContact CE1-CB 4.25Å; A413-S445 CarbonylContact O-C 3.24Å; A413-S445 WeakPolarHBondContact O-CA 3.34Å; A413-S445 WeakPolarHBondContact O-CB 3.02Å; A413-S446 PolarHBondContact N-O 3.18Å; A413-S446 VanDerWaalsContact N-O 3.1Å; A413-S446 PolarHBondContact O-N 3.1Å |
| 414 | Q | 84.8 | Confident | 66.5 | Low | 47 Ų | 47 | 80.9 Ų | 80.9 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.4 | -172.9 | -163.6 | -145.5 | -81.6 | 0 | 0 | 110.6 | T368 I412 I443 Y444 | T368-Q414 PolarHBondContact N-O 2.93Å; T368-Q414 PolarHBondContact O-N 2.85Å; I412-Q414 HydrophobicContact CG2-CB 4.5Å; Q414-I443 VanDerWaalsContact CD-CG2 3.41Å; Q414-I443 HydrophobicContact CG-CG2 3.4Å; Q414-Y444 WeakPolarHBondContact CG-O 3.3Å |
| 415 | D | 74.7 | Confident | 63.8 | Low | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | trans | -77 | 168.9 | 170 | 52 | 87.7 | 0 | 0 | 0 | 112.5 | P304 I443 Y444 | P304-D415 WeakPolarHBondContact CD-OD2 3.4Å; P304-D415 HydrophobicContact CG-CB 4.31Å; D415-I443 WeakPolarHBondContact OD1-CA 3.44Å; D415-Y444 PolarHBondContact OD1-N 3.21Å; D415-Y444 WeakPolarHBondContact OD2-CA 2.89Å; D415-Y444 VanDerWaalsContact OD2-CB 3.27Å; D415-Y444 WeakPolarHBondContact OD2-CB 3.41Å; D415-Y444 PolarHBondContact OD2-N 3.4Å; D415-Y444 VanDerWaalsContact OD2-N 3.13Å | ||
| 416 | G | 64.3 | Low | 61.1 | Low | 18 Ų | 18 | 85.1 Ų | 85.1 | 19% | 0.186 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 71.8 | 170.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | V418 | G416-V418 PolarHBondContact O-N 3.49Š|
| 417 | P | 54.4 | Low | 58.4 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | trans | -72.2 | 116.4 | -167.8 | 25.9 | -35.1 | 0 | 0 | 0 | 113.4 | R419 | P417-R419 PolarHBondContact O-N 3.4Š| ||
| 418 | V | 42 | Very low | 55.6 | Low | 78 Ų | 78 | 96 Ų | 96 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | trans | -59.1 | 118 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | T368 G416 E420 | T368-V418 HydrophobicContact CG2-CG2 3.8Å; G416-V418 PolarHBondContact O-N 3.49Å; V418-E420 PolarHBondContact O-N 2.87Å | ||
| 419 | R | 38.3 | Very low | 53 | Low | 225 Ų | 225 | 99.6 Ų | 99.6 | 85% | 0.849 | 50% | 0.498 | S | S | * | . | trans | -70.2 | 90 | 177.8 | -70.2 | -173.8 | 179.9 | 176.7 | 3.2 | 111.7 | P417 K421 | P417-R419 PolarHBondContact O-N 3.4Å; R419-K421 PolarHBondContact O-N 3.33Å | ||
| 420 | E | 36.5 | Very low | 50.2 | Low | 143 Ų | 143 | 106 Ų | 106 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | trans | -53.8 | 128.8 | 166.2 | -74 | -151.5 | 147.5 | 0 | 0 | 110.9 | V418 Q422 | V418-E420 PolarHBondContact O-N 2.87Å; E420-Q422 HydrophobicContact CB-CG 4.32Å; E420-Q422 PolarHBondContact O-N 3.24Å; E420-Q422 WeakPolarHBondContact OE2-CG 3.46Å; E420-Q422 PolarHBondContact OE2-NE2 3.09Å | ||
| 421 | K | 28.5 | Very low | 47.5 | Very low | 212 Ų | 212 | 110.2 Ų | 110.2 | 92% | 0.922 | 56% | 0.559 | S | S | * | * | trans | -82.4 | 50 | 173.2 | -73.7 | 179.7 | 177.4 | 169 | 0 | 111.7 | R419 K423 | R419-K421 PolarHBondContact O-N 3.33Å; K421-K423 PolarHBondContact O-N 2.92Å | ||
| 422 | Q | 34.3 | Very low | 44.7 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | trans | -73.2 | 125.3 | 169.2 | -68.9 | -155.9 | 30.9 | 0 | 0 | 110.6 | E420 | E420-Q422 HydrophobicContact CB-CG 4.32Å; E420-Q422 PolarHBondContact O-N 3.24Å; E420-Q422 WeakPolarHBondContact OE2-CG 3.46Å; E420-Q422 PolarHBondContact OE2-NE2 3.09Å | ||
| 423 | K | 28.5 | Very low | 41.8 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | trans | -91.7 | 108.9 | 165 | -71.5 | 175.8 | 175.3 | 176.9 | 0 | 108.5 | K421 | K421-K423 PolarHBondContact O-N 2.92Š| ||
| 424 | D | 32.4 | Very low | 39.2 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | -168.1 | 133.5 | 118 | -111.9 | -22.9 | 0 | 0 | 0 | 113 | S426 | D424-S426 PolarHBondContact O-N 2.83Š| |||
| 425 | P | 29.3 | Very low | 36.5 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | trans | -98.9 | 83.1 | -173.9 | 37.2 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 426 | S | 30.6 | Very low | 34.6 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -154.1 | 79 | 170.2 | 67.1 | 0 | 0 | 0 | 0 | 116.9 | D424 | D424-S426 PolarHBondContact O-N 2.83Š| ||
| 427 | K | 32.2 | Very low | 33.1 | Very low | 215 Ų | 215 | 145.9 Ų | 145.9 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | trans | 173.2 | 113.5 | 133.3 | -94.8 | 154 | -173 | 173.1 | 0 | 111.8 | ||||
| 428 | S | 28.2 | Very low | 31.9 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -98.9 | 151.7 | 167.6 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 429 | F | 32.7 | Very low | 31.4 | Very low | 210 Ų | 210 | 154.2 Ų | 154.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -165.4 | 150.9 | 127.9 | -91.5 | -58.7 | 0 | 0 | 0 | 110.3 | |||||
| 430 | L | 29.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | trans | -156.3 | 140.1 | -167 | -124.8 | 172.4 | 0 | 0 | 0 | 111.2 | I432 | L430-I432 HydrophobicContact CB-CG1 4.46Š| ||
| 431 | P | 30.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -120 | 124.7 | 144 | 32.1 | -19.9 | 0 | 0 | 0 | 108.8 | ||||
| 432 | I | 30.3 | Very low | 33.6 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | cis | 55.4 | 115.6 | 41 | -33.5 | 170.6 | 0 | 0 | 0 | 109.5 | L430 | L430-I432 HydrophobicContact CB-CG1 4.46Š| ||
| 433 | T | 28.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | cis | -129.5 | 173 | 21.8 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 434 | S | 31.8 | Very low | 37.5 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | cis | -154.5 | 123 | 26.7 | 51.4 | 0 | 0 | 0 | 0 | 115.5 | I436 | S434-I436 PolarHBondContact O-N 3.43Š| ||
| 435 | T | 28.6 | Very low | 39.9 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | trans | 29.7 | 77 | 140.7 | 56.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 436 | I | 34.2 | Very low | 42.6 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -110.8 | 156.5 | 133.3 | -65.8 | -176.3 | 0 | 0 | 0 | 107.9 | S434 | S434-I436 PolarHBondContact O-N 3.43Š| ||
| 437 | K | 33.1 | Very low | 45.2 | Very low | 196 Ų | 196 | 122 Ų | 122 | 85% | 0.852 | 65% | 0.653 | S | S | * | * | trans | -63.1 | 142.1 | -168 | -67.3 | 172.4 | -177 | 168.5 | 0 | 111.4 | S439 | K437-S439 VanDerWaalsContact C-N 3.35Å; K437-S439 PolarHBondContact O-N 3.11Å | ||
| 438 | K | 28.8 | Very low | 47.9 | Very low | 209 Ų | 209 | 111.7 Ų | 111.7 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | trans | -59.5 | 98.5 | 156.6 | -71.4 | -178.9 | 174.3 | -177.1 | 0 | 108.8 | ||||
| 439 | S | 33.2 | Very low | 50.7 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | trans | -62.1 | 140 | 144.3 | -163.2 | 0 | 0 | 0 | 0 | 106.9 | K437 Q441 | K437-S439 VanDerWaalsContact C-N 3.35Å; K437-S439 PolarHBondContact O-N 3.11Å; S439-Q441 PolarHBondContact O-N 2.74Å | ||
| 440 | S | 38.4 | Very low | 53.4 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | trans | -63 | 128.7 | 161.3 | 42.3 | 0 | 0 | 0 | 0 | 107.4 | I442 | S440-I442 PolarHBondContact O-N 3.09Š| ||
| 441 | Q | 52.1 | Low | 56.3 | Low | 151 Ų | 151 | 93.8 Ų | 93.8 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | trans | -53.2 | 108.9 | 163.9 | -70.5 | 169.2 | -66.4 | 0 | 0 | 106.8 | S439 I443 | S439-Q441 PolarHBondContact O-N 2.74Å; Q441-I443 PolarHBondContact O-N 3.01Å | ||
| 442 | I | 57.6 | Low | 59.1 | Low | 86 Ų | 86 | 88.3 Ų | 88.3 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | trans | -74.9 | 124.3 | 171 | -56.6 | -179.7 | 0 | 0 | 0 | 103.7 | N300 S440 Y444 | N300-I442 PolarHBondContact OD1-O 3.15Å; N300-I442 VanDerWaalsContact OD1-O 3.11Å; S440-I442 PolarHBondContact O-N 3.09Å; I442-Y444 HydrophobicContact CB-CD2 4.36Å; I442-Y444 HydrophobicContact CB-CE2 3.82Å; I442-Y444 HydrophobicContact CG2-CD1 4.17Å; I442-Y444 HydrophobicContact CG2-CD2 3.87Å; I442-Y444 HydrophobicContact CG2-CE1 3.86Å; I442-Y444 HydrophobicContact CG2-CE2 3.55Å; I442-Y444 HydrophobicContact CG2-CG 4.18Å | ||
| 443 | I | 67.3 | Low | 61.9 | Low | 90 Ų | 90 | 84 Ų | 84 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | trans | -94.9 | 118.3 | 167.7 | -70 | 171.9 | 0 | 0 | 0 | 103.7 | Q414 D415 Q441 | Q414-I443 VanDerWaalsContact CD-CG2 3.41Å; Q414-I443 HydrophobicContact CG-CG2 3.4Å; D415-I443 WeakPolarHBondContact OD1-CA 3.44Å; Q441-I443 PolarHBondContact O-N 3.01Å | ||
| 444 | Y | 77.3 | Confident | 64.8 | Low | 69 Ų | 69 | 77.8 Ų | 77.8 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | trans | -90.7 | 177.2 | 170.1 | -59.8 | -96.9 | 0 | 0 | 0 | 109.8 | N300 P303 Q414 D415 I442 | N300-Y444 WeakPolarHBondContact O-CE2 3.41Å; N300-Y444 WeakPolarHBondContact OD1-CD2 3.37Å; N300-Y444 WeakPolarHBondContact OD1-CE2 3.38Å; P303-Y444 HydrophobicContact CB-CD1 4.42Å; P303-Y444 HydrophobicContact CB-CG 4.32Å; Q414-Y444 WeakPolarHBondContact CG-O 3.3Å; D415-Y444 PolarHBondContact OD1-N 3.21Å; D415-Y444 WeakPolarHBondContact OD2-CA 2.89Å; D415-Y444 VanDerWaalsContact OD2-CB 3.27Å; D415-Y444 WeakPolarHBondContact OD2-CB 3.41Å; D415-Y444 PolarHBondContact OD2-N 3.4Å; D415-Y444 VanDerWaalsContact OD2-N 3.13Å; I442-Y444 HydrophobicContact CB-CD2 4.36Å; I442-Y444 HydrophobicContact CB-CE2 3.82Å; I442-Y444 HydrophobicContact CG2-CD1 4.17Å; I442-Y444 HydrophobicContact CG2-CD2 3.87Å; I442-Y444 HydrophobicContact CG2-CE1 3.86Å; I442-Y444 HydrophobicContact CG2-CE2 3.55Å; I442-Y444 HydrophobicContact CG2-CG 4.18Å | ||
| 445 | S | 84.2 | Confident | 67.6 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 139.8 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | A413 | A413-S445 CarbonylContact O-C 3.24Å; A413-S445 WeakPolarHBondContact O-CA 3.34Å; A413-S445 WeakPolarHBondContact O-CB 3.02Å |
| 446 | S | 84.6 | Confident | 70.6 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 162.8 | 163.4 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | P304 F306 I412 A413 | P304-S446 WeakPolarHBondContact O-CB 3.29Å; P304-S446 PolarHBondContact O-OG 2.69Å; F306-S446 WeakPolarHBondContact CD2-OG 3.39Å; F306-S446 VanDerWaalsContact CE2-OG 3.29Å; F306-S446 WeakPolarHBondContact CE2-OG 3.44Å; I412-S446 WeakPolarHBondContact CA-O 3.26Å; A413-S446 PolarHBondContact N-O 3.18Å; A413-S446 VanDerWaalsContact N-O 3.1Å; A413-S446 PolarHBondContact O-N 3.1Å |
| 447 | T | 86.9 | Confident | 73.2 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.5 | 178.9 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | I330 T410 | I330-T447 WeakPolarHBondContact CG2-O 3.17Å; T410-T447 HydrophobicContact CG2-CG2 3.46Å; T410-T447 VanDerWaalsContact CG2-CG2 3.46Å |
| 448 | A | 87.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F306 Y331 T410 I411 I450 | F306-A448 HydrophobicContact CD1-CB 4Å; F306-A448 HydrophobicContact CD2-CB 3.78Å; F306-A448 HydrophobicContact CE1-CB 3.78Å; F306-A448 HydrophobicContact CE2-CB 3.56Å; F306-A448 HydrophobicContact CG-CB 3.99Å; F306-A448 HydrophobicContact CZ-CB 3.54Å; Y331-A448 HydrophobicContact CD1-CB 3.77Å; Y331-A448 HydrophobicContact CE1-CB 4.48Å; Y331-A448 WeakPolarHBondContact O-CA 3.14Å; T410-A448 WeakPolarHBondContact CA-O 3.25Å; I411-A448 PolarHBondContact N-O 3.39Å; I411-A448 PolarHBondContact O-N 2.76Å; A448-I450 HydrophobicContact CB-CD1 4Å |
| 449 | L | 88.3 | Confident | 78.8 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.5 | 163.4 | -68.4 | 175.9 | 0 | 0 | 0 | 109 | I330 Y331 K332 K333 R408 T410 | I330-L449 HydrophobicContact CD1-CD1 4.41Å; I330-L449 HydrophobicContact CG2-CB 4.34Å; I330-L449 HydrophobicContact CG2-CD1 3.82Å; I330-L449 HydrophobicContact CG2-CG 3.75Å; Y331-L449 PolarHBondContact O-N 3.41Å; K332-L449 WeakPolarHBondContact CA-O 3.3Å; K332-L449 HydrophobicContact CG-CB 4.28Å; K333-L449 PolarHBondContact N-O 2.83Å; K333-L449 VanDerWaalsContact N-O 3.13Å; R408-L449 HydrophobicContact CG-CD2 4.39Å; T410-L449 HydrophobicContact CG2-CD2 4.17Å; T410-L449 WeakPolarHBondContact OG1-CD2 3.48Å |
| 450 | I | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.1 | 177.9 | -48.1 | -54.2 | 0 | 0 | 0 | 108.2 | K333 Y335 L350 L393 R408 L409 I411 A448 I452 | K333-I450 HydrophobicContact CB-CD1 3.88Å; K333-I450 WeakPolarHBondContact O-CA 3.33Å; Y335-I450 HydrophobicContact CD2-CG2 3.55Å; Y335-I450 HydrophobicContact CE2-CG2 3.68Å; L350-I450 HydrophobicContact CD1-CD1 3.88Å; L350-I450 HydrophobicContact CD1-CG1 4.08Å; L350-I450 HydrophobicContact CD2-CD1 3.57Å; L350-I450 HydrophobicContact CD2-CG1 4.46Å; L350-I450 HydrophobicContact CG-CD1 4.37Å; L393-I450 HydrophobicContact CD2-CG2 4.47Å; R408-I450 CarbonylContact C-O 3.57Å; R408-I450 WeakPolarHBondContact CA-O 3.48Å; L409-I450 HydrophobicContact CB-CB 4.29Å; L409-I450 HydrophobicContact CD1-CB 4.36Å; L409-I450 HydrophobicContact CD1-CG2 4.41Å; L409-I450 PolarHBondContact N-O 3.06Å; L409-I450 PolarHBondContact O-N 2.82Å; I411-I450 HydrophobicContact CD1-CG1 4.01Å; A448-I450 HydrophobicContact CB-CD1 4Å; I450-I452 HydrophobicContact CG2-CG1 4.17Å |
| 451 | D | 89 | Confident | 83.9 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 107 | 171.4 | -77.8 | -5.4 | 0 | 0 | 0 | 108.7 | K333 Q334 Y335 R408 I453 | K333-D451 PolarHBondContact O-N 3.5Å; Q334-D451 VanDerWaalsContact CA-O 3.3Å; Q334-D451 WeakPolarHBondContact CA-O 3.37Å; Y335-D451 PolarHBondContact N-O 3.17Å; R408-D451 WeakPolarHBondContact CG-OD1 3.45Å; R408-D451 IonicContact CZ-OD1 2.73Å; R408-D451 IonicContact CZ-OD2 3.6Å; R408-D451 IonicContact NE-OD1 2.88Å; R408-D451 PolarHBondContact NE-OD1 3.41Å; R408-D451 IonicContact NE-OD2 3.47Å; R408-D451 IonicContact NH2-OD1 2.73Å; R408-D451 PolarHBondContact NH2-OD1 2.71Å; R408-D451 IonicContact NH2-OD2 2.77Å; R408-D451 PolarHBondContact NH2-OD2 3.33Å; D451-I453 PolarHBondContact O-N 2.57Å |
| 452 | I | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 100 | 169.8 | -55.5 | 177.1 | 0 | 0 | 0 | 107.6 | V337 I347 F384 L393 N406 Y407 L409 I450 V454 | V337-I452 HydrophobicContact CB-CG2 4.27Å; V337-I452 HydrophobicContact CG2-CG2 3.99Å; I347-I452 HydrophobicContact CD1-CD1 4.05Å; I347-I452 HydrophobicContact CG2-CD1 4.23Å; F384-I452 HydrophobicContact CD1-CD1 3.93Å; F384-I452 HydrophobicContact CE1-CD1 3.51Å; F384-I452 HydrophobicContact CE2-CD1 4.34Å; F384-I452 HydrophobicContact CZ-CD1 3.74Å; L393-I452 HydrophobicContact CD2-CD1 3.94Å; N406-I452 WeakPolarHBondContact CA-O 3.35Å; N406-I452 PolarHBondContact OD1-O 2.75Å; Y407-I452 PolarHBondContact N-O 2.79Å; Y407-I452 PolarHBondContact O-N 3.47Å; L409-I452 HydrophobicContact CD1-CB 4.43Å; L409-I452 HydrophobicContact CD1-CD1 3.46Å; L409-I452 VanDerWaalsContact CD1-CD1 3.46Å; L409-I452 HydrophobicContact CD1-CG1 3.63Å; I450-I452 HydrophobicContact CG2-CG1 4.17Å; I452-V454 PolarHBondContact O-N 3.05Å |
| 453 | I | 89.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.5 | 168.7 | -64.9 | -178 | 0 | 0 | 0 | 107.6 | Q334 Y335 K336 V337 D451 L455 | Q334-I453 VanDerWaalsContact CD-CD1 3.48Å; Q334-I453 HydrophobicContact CG-CD1 4.13Å; Q334-I453 HydrophobicContact CG-CG1 4.33Å; Y335-I453 PolarHBondContact O-N 3.38Å; K336-I453 WeakPolarHBondContact CA-O 3.39Å; K336-I453 HydrophobicContact CG-CB 4.34Å; V337-I453 PolarHBondContact N-O 3.36Å; D451-I453 PolarHBondContact O-N 2.57Å; I453-L455 HydrophobicContact CG2-CD2 4.32Å |
| 454 | V | 90.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.1 | 169 | -175 | 0 | 0 | 0 | 0 | 107.8 | V337 E339 L399 Y401 V404 K405 Y407 I452 | V337-V454 CarbonylContact O-C 3.06Å; V337-V454 WeakPolarHBondContact O-CA 3.16Å; E339-V454 HydrophobicContact CB-CG1 3.71Å; L399-V454 HydrophobicContact CB-CG1 4.45Å; L399-V454 HydrophobicContact CD1-CG2 4.35Å; L399-V454 HydrophobicContact CD2-CG2 4.48Å; Y401-V454 HydrophobicContact CD2-CB 3.94Å; Y401-V454 HydrophobicContact CD2-CG1 4.04Å; Y401-V454 WeakPolarHBondContact CD2-O 3.23Å; Y401-V454 WeakPolarHBondContact CE2-O 3.4Å; Y401-V454 HydrophobicContact CG-CG1 4.41Å; V404-V454 WeakPolarHBondContact O-CG2 3.31Å; K405-V454 PolarHBondContact O-N 2.76Å; K405-V454 VanDerWaalsContact O-N 3.09Å; Y407-V454 HydrophobicContact CD2-CG2 3.96Å; Y407-V454 HydrophobicContact CE2-CG2 3.77Å; I452-V454 PolarHBondContact O-N 3.05Å |
| 455 | L | 90 | Very high | 88.8 | Confident | 68 Ų | 68 | 33.3 Ų | 33.3 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.8 | 174.7 | -61.4 | -179.5 | 0 | 0 | 0 | 109.2 | K336 V337 K338 E339 I453 | K336-L455 HydrophobicContact CB-CD1 4.03Å; K336-L455 HydrophobicContact CB-CD2 4.28Å; K336-L455 HydrophobicContact CB-CG 4.16Å; V337-L455 PolarHBondContact O-N 2.69Å; K338-L455 WeakPolarHBondContact CA-O 3.33Å; K338-L455 HydrophobicContact CG-CB 4.33Å; E339-L455 PolarHBondContact N-O 3.18Å; I453-L455 HydrophobicContact CG2-CD2 4.32Å |
| 456 | D | 90.5 | Very high | 88.8 | Confident | 31 Ų | 31 | 30.5 Ų | 30.5 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | trans | -39.6 | 132.3 | 167 | -159.9 | 108.5 | 0 | 0 | 0 | 113.6 | E339 Y401 T517 N520 | E339-D456 VanDerWaalsContact OE1-CA 3.23Å; E339-D456 WeakPolarHBondContact OE1-CA 3.26Å; Y401-D456 HydrophobicContact CD1-CB 3.93Å; Y401-D456 WeakPolarHBondContact CD1-OD1 2.84Å; Y401-D456 HydrophobicContact CE1-CB 3.82Å; Y401-D456 WeakPolarHBondContact CE1-OD1 3.14Å; Y401-D456 HydrophobicContact CG-CB 4.4Å; D456-T517 VanDerWaalsContact CG-OG1 3.32Å; D456-T517 WeakPolarHBondContact OD1-CA 3.42Å; D456-T517 WeakPolarHBondContact OD1-CB 3.21Å; D456-T517 PolarHBondContact OD1-N 3.25Å; D456-T517 PolarHBondContact OD1-OG1 3.15Å; D456-T517 PolarHBondContact OD2-N 3.24Å; D456-N520 PolarHBondContact OD2-ND2 3.07Å | ||
| 457 | V | 89.5 | Confident | 88.1 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | trans | -131.9 | 143.9 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | K338 E339 D459 | K338-V457 HydrophobicContact CB-CG2 3.97Å; K338-V457 HydrophobicContact CD-CG2 3.94Å; K338-V457 HydrophobicContact CG-CG2 4.07Å; E339-V457 HydrophobicContact CG-CB 4.15Å; E339-V457 HydrophobicContact CG-CG2 4.14Å; E339-V457 PolarHBondContact OE1-N 2.95Å; V457-D459 PolarHBondContact O-N 2.83Å | ||
| 458 | N | 90.8 | Very high | 86.7 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -72.2 | 91.7 | -178 | -155.4 | 91.3 | 0 | 0 | 0 | 110.9 | D516 N520 D567 G569 P571 L573 | N458-D516 VanDerWaalsContact CA-OD2 3.26Å; N458-D516 WeakPolarHBondContact CA-OD2 3.36Å; N458-N520 HydrophobicContact CB-CB 4.2Å; N458-N520 PolarHBondContact N-ND2 3.22Å; N458-N520 WeakPolarHBondContact OD1-CA 3.27Å; N458-N520 WeakPolarHBondContact OD1-CB 3.09Å; N458-N520 VanDerWaalsContact OD1-CG 3.29Å; N458-N520 PolarHBondContact OD1-OD1 3.05Å; N458-D567 PolarHBondContact ND2-OD2 2.92Å; N458-G569 WeakPolarHBondContact OD1-CA 3.23Å; N458-P571 PolarHBondContact ND2-O 2.83Å; N458-L573 WeakPolarHBondContact ND2-CD1 3.43Å; N458-L573 WeakPolarHBondContact ND2-CG 3.23Å |
| 459 | D | 88.9 | Confident | 85.4 | Confident | 105 Ų | 105 | 35.1 Ų | 35.1 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | trans | -136 | -29.2 | -164.4 | 139.2 | -52.4 | 0 | 0 | 0 | 112.9 | V457 D516 | V457-D459 PolarHBondContact O-N 2.83Å; D459-D516 PolarHBondContact N-OD2 3.2Å; D459-D516 VanDerWaalsContact N-OD2 3.11Å | ||
| 460 | N | 88.6 | Confident | 83.5 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78.4 | 160.8 | 160.2 | -63.1 | -93.2 | 0 | 0 | 0 | 110.2 | E402 R515 D516 L573 | E402-N460 PolarHBondContact OE2-ND2 3.48Å; N460-R515 HydrophobicContact CB-CB 4.25Å; N460-D516 WeakPolarHBondContact CB-OD1 3.2Å; N460-D516 PolarHBondContact N-OD1 2.82Å; N460-D516 PolarHBondContact ND2-OD1 3Å; N460-L573 VanDerWaalsContact O-CD1 3.27Å; N460-L573 WeakPolarHBondContact O-CD1 3.09Å |
| 461 | L | 89.7 | Confident | 81.4 | Confident | 81 Ų | 81 | 41 Ų | 41 | 42% | 0.424 | 21% | 0.212 | S | C | . | . | trans | -115.7 | 147.1 | 175.9 | 65.8 | 90.8 | 0 | 0 | 0 | 109.7 | M463 N575 | L461-M463 HydrophobicContact CD1-CG 4.02Å; L461-M463 WeakPolarHBondContact O-CG 3.44Å; L461-M463 PolarHBondContact O-N 3.36Å; L461-N575 HydrophobicContact CD1-CB 3.92Å; L461-N575 WeakPolarHBondContact CD1-ND2 3.48Å | ||
| 462 | P | 92.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -65.5 | 107 | -174.9 | 23.9 | -35.7 | 0 | 0 | 0 | 111.4 | V512 D514 I523 C565 N575 | P462-V512 HydrophobicContact CB-CG1 3.77Å; P462-D514 WeakPolarHBondContact CA-OD2 3.38Å; P462-D514 WeakPolarHBondContact CB-OD2 3.26Å; P462-D514 WeakPolarHBondContact CD-OD2 3.32Å; P462-D514 VanDerWaalsContact N-OD2 3.16Å; P462-I523 HydrophobicContact CB-CD1 3.53Å; P462-C565 VanDerWaalsContact CG-O 3.29Å; P462-C565 WeakPolarHBondContact CG-O 3.48Å; P462-N575 HydrophobicContact CG-CB 4.41Å; P462-N575 WeakPolarHBondContact O-CB 3.48Å; P462-N575 PolarHBondContact O-ND2 3.22Å | ||
| 463 | M | 89.1 | Confident | 77.4 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.7 | -174.5 | -69.2 | -164.6 | 70 | 0 | 0 | 112 | L461 Y465 V512 I513 | L461-M463 HydrophobicContact CD1-CG 4.02Å; L461-M463 WeakPolarHBondContact O-CG 3.44Å; L461-M463 PolarHBondContact O-N 3.36Å; M463-Y465 HydrophobicContact CB-CD2 4.07Å; M463-Y465 HydrophobicContact CB-CE2 3.4Å; M463-Y465 VanDerWaalsContact CB-CE2 3.4Å; M463-Y465 HydrophobicContact CE-CE1 4.35Å; M463-Y465 VanDerWaalsContact CE-OH 3.32Å; M463-Y465 WeakPolarHBondContact CE-OH 3.21Å; M463-Y465 VanDerWaalsContact O-CD2 3.28Å; M463-Y465 WeakPolarHBondContact O-CD2 3.26Å; M463-Y465 PolarHBondContact SD-OH 3.13Å; M463-V512 WeakPolarHBondContact O-CA 3.34Å; M463-I513 PolarHBondContact N-O 3.1Å; M463-I513 PolarHBondContact O-N 3.03Å |
| 464 | I | 90.4 | Very high | 75.2 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.7 | 178.2 | -57.4 | 167 | 0 | 0 | 0 | 109.7 | F510 V512 I563 C565 K577 | I464-F510 HydrophobicContact CG2-CD2 3.86Å; I464-F510 HydrophobicContact CG2-CE2 4.33Å; I464-F510 HydrophobicContact CG2-CG 4.5Å; I464-V512 HydrophobicContact CG1-CG2 4.3Å; I464-I563 HydrophobicContact CD1-CB 4.38Å; I464-I563 HydrophobicContact CD1-CG2 3.97Å; I464-C565 HydrophobicContact CD1-CB 4.09Å; I464-C565 HydrophobicContact CG1-CB 4.13Å; I464-K577 HydrophobicContact CB-CB 4.06Å; I464-K577 HydrophobicContact CD1-CB 3.9Å; I464-K577 HydrophobicContact CG2-CB 3.93Å; I464-K577 HydrophobicContact CG2-CG 4.19Å |
| 465 | Y | 86.2 | Confident | 73 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.8 | -178.3 | -68.5 | -79.8 | 0 | 0 | 0 | 112.6 | M463 D469 N511 I513 | M463-Y465 HydrophobicContact CB-CD2 4.07Å; M463-Y465 HydrophobicContact CB-CE2 3.4Å; M463-Y465 VanDerWaalsContact CB-CE2 3.4Å; M463-Y465 HydrophobicContact CE-CE1 4.35Å; M463-Y465 VanDerWaalsContact CE-OH 3.32Å; M463-Y465 WeakPolarHBondContact CE-OH 3.21Å; M463-Y465 VanDerWaalsContact O-CD2 3.28Å; M463-Y465 WeakPolarHBondContact O-CD2 3.26Å; M463-Y465 PolarHBondContact SD-OH 3.13Å; Y465-D469 HydrophobicContact CD1-CB 4.15Å; Y465-N511 PolarHBondContact N-O 2.68Å; Y465-N511 PolarHBondContact O-N 3.06Å; Y465-I513 HydrophobicContact CD2-CB 4.23Å; Y465-I513 HydrophobicContact CD2-CD1 3.93Å; Y465-I513 HydrophobicContact CD2-CG1 4.06Å; Y465-I513 HydrophobicContact CE2-CB 4.05Å; Y465-I513 HydrophobicContact CE2-CD1 4.01Å; Y465-I513 HydrophobicContact CE2-CG1 4.26Å |
| 466 | F | 84 | Confident | 70.9 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -103.3 | 158 | 164 | -55.5 | -72.2 | 0 | 0 | 0 | 110.6 | N468 D469 Y493 I508 F510 I563 K577 L579 | F466-N468 PolarHBondContact O-N 3.31Å; F466-D469 PolarHBondContact N-OD2 3.31Å; F466-D469 PolarHBondContact O-N 2.68Å; F466-Y493 HydrophobicContact CB-CD1 4.32Å; F466-Y493 HydrophobicContact CB-CD2 3.79Å; F466-Y493 HydrophobicContact CB-CE1 4.06Å; F466-Y493 HydrophobicContact CB-CE2 3.49Å; F466-Y493 VanDerWaalsContact CB-CE2 3.49Å; F466-Y493 HydrophobicContact CB-CG 4.2Å; F466-Y493 HydrophobicContact CD1-CD1 4.35Å; F466-Y493 HydrophobicContact CD1-CE1 4.47Å; F466-Y493 VanDerWaalsContact CD2-CB 3.49Å; F466-Y493 AromaticContact CD2-CD1 3.81Å; F466-Y493 HydrophobicContact CD2-CD1 3.81Å; F466-Y493 AromaticContact CD2-CD2 3.46Å; F466-Y493 HydrophobicContact CD2-CD2 3.46Å; F466-Y493 VanDerWaalsContact CD2-CD2 3.46Å; F466-Y493 HydrophobicContact CD2-CE1 4.4Å; F466-Y493 HydrophobicContact CD2-CE2 4.1Å; F466-Y493 AromaticContact CD2-CG 3.29Å; F466-Y493 HydrophobicContact CD2-CG 3.29Å; F466-Y493 HydrophobicContact CE2-CD1 4.09Å; F466-Y493 HydrophobicContact CE2-CD2 4.27Å; F466-Y493 AromaticContact CE2-CG 3.66Å; F466-Y493 HydrophobicContact CE2-CG 3.66Å; F466-Y493 AromaticContact CG-CD1 3.93Å; F466-Y493 HydrophobicContact CG-CD1 3.93Å; F466-Y493 AromaticContact CG-CD2 3.89Å; F466-Y493 HydrophobicContact CG-CD2 3.89Å; F466-Y493 HydrophobicContact CG-CE1 4.09Å; F466-Y493 HydrophobicContact CG-CE2 4.06Å; F466-Y493 AromaticContact CG-CG 3.82Å; F466-Y493 HydrophobicContact CG-CG 3.82Å; F466-Y493 HydrophobicContact CZ-CD1 4.49Å; F466-Y493 HydrophobicContact CZ-CG 4.48Å; F466-I508 HydrophobicContact CD1-CD1 3.42Å; F466-I508 VanDerWaalsContact CD1-CD1 3.42Å; F466-I508 HydrophobicContact CD1-CG1 4.02Å; F466-I508 HydrophobicContact CE1-CD1 3.62Å; F466-I508 HydrophobicContact CE1-CG1 4.18Å; F466-I508 HydrophobicContact CG-CD1 4.24Å; F466-F510 HydrophobicContact CD1-CB 3.63Å; F466-F510 HydrophobicContact CE1-CB 3.62Å; F466-F510 HydrophobicContact CE1-CD1 4.48Å; F466-F510 HydrophobicContact CE1-CG 4.28Å; F466-I563 HydrophobicContact CE1-CD1 4.32Å; F466-I563 HydrophobicContact CZ-CD1 3.85Å; F466-K577 HydrophobicContact CE2-CD 4.31Å; F466-K577 HydrophobicContact CE2-CG 3.67Å; F466-K577 HydrophobicContact CZ-CG 4.36Å; F466-L579 HydrophobicContact CZ-CB 4.47Å; F466-L579 HydrophobicContact CZ-CD1 4.21Å | ||
| 467 | D | 69.3 | Low | 68.6 | Low | 105 Ų | 105 | 64.8 Ų | 64.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -24.8 | -170.9 | -76.3 | -26.1 | 0 | 0 | 0 | 115.7 | ||
| 468 | N | 58.5 | Low | 66.5 | Low | 42 Ų | 42 | 70.7 Ų | 70.7 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -15.8 | 179.6 | -70 | -70 | 0 | 0 | 0 | 114.9 | F466 Q470 I471 Y493 F1495 | F466-N468 PolarHBondContact O-N 3.31Å; N468-Q470 PolarHBondContact O-N 3.3Å; N468-I471 PolarHBondContact O-N 3.11Å; N468-I471 VanDerWaalsContact O-N 3.15Å; N468-Y493 HydrophobicContact CB-CE2 4.21Å; N468-Y493 PolarHBondContact ND2-OH 3.22Å; N468-F1495 WeakPolarHBondContact ND2-CE1 3.3Å; N468-F1495 VanDerWaalsContact OD1-CD1 3.32Å; N468-F1495 WeakPolarHBondContact OD1-CD1 3.27Å |
| 469 | D | 59.2 | Low | 64.3 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.1 | -179 | -73.9 | -52.1 | 0 | 0 | 0 | 111.2 | Y465 F466 I471 I472 K577 | Y465-D469 HydrophobicContact CD1-CB 4.15Å; F466-D469 PolarHBondContact N-OD2 3.31Å; F466-D469 PolarHBondContact O-N 2.68Å; D469-I471 PolarHBondContact O-N 2.72Å; D469-I472 PolarHBondContact O-N 3.32Å; D469-K577 IonicContact OD1-NZ 2.99Å; D469-K577 PolarHBondContact OD1-NZ 3.04Å; D469-K577 IonicContact OD2-NZ 2.74Å; D469-K577 PolarHBondContact OD2-NZ 3.16Å |
| 470 | Q | 47.9 | Very low | 61.8 | Low | 99 Ų | 99 | 76.4 Ų | 76.4 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.6 | -23 | 177.7 | -73.5 | -78 | -36.3 | 0 | 0 | 114.7 | N468 N474 | N468-Q470 PolarHBondContact O-N 3.3Å; Q470-N474 PolarHBondContact O-ND2 2.82Å |
| 471 | I | 46.2 | Very low | 58.9 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 30% | 0.303 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -82.6 | -20.8 | -178.3 | -59.5 | 177.6 | 0 | 0 | 0 | 111.5 | N468 D469 | N468-I471 PolarHBondContact O-N 3.11Å; N468-I471 VanDerWaalsContact O-N 3.15Å; D469-I471 PolarHBondContact O-N 2.72Å |
| 472 | I | 47 | Very low | 56.1 | Low | 87 Ų | 87 | 79.2 Ų | 79.2 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -87.9 | -50.8 | -174.2 | -57.8 | 179.3 | 0 | 0 | 0 | 110.6 | D469 N474 K475 Q476 | D469-I472 PolarHBondContact O-N 3.32Å; I472-N474 VanDerWaalsContact C-N 3.31Å; I472-N474 PolarHBondContact O-N 3.03Å; I472-K475 PolarHBondContact O-N 3.29Å; I472-Q476 PolarHBondContact O-N 3.07Å |
| 473 | E | 46.9 | Very low | 53.3 | Low | 85 Ų | 85 | 84.4 Ų | 84.4 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 179.7 | -66 | -170.4 | 171.5 | 0 | 0 | 112 | K475 Q476 K477 | E473-K475 PolarHBondContact O-N 3.12Å; E473-Q476 PolarHBondContact O-N 2.92Å; E473-K477 PolarHBondContact O-N 3.29Å |
| 474 | N | 44.4 | Very low | 50.6 | Low | 95 Ų | 95 | 92.1 Ų | 92.1 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -15.9 | 179.1 | -76.4 | -61 | 0 | 0 | 0 | 114.1 | Q470 I472 I478 | Q470-N474 PolarHBondContact O-ND2 2.82Å; I472-N474 VanDerWaalsContact C-N 3.31Å; I472-N474 PolarHBondContact O-N 3.03Å; N474-I478 WeakPolarHBondContact O-CD1 3.43Å |
| 475 | K | 44.5 | Very low | 47.7 | Very low | 99 Ų | 99 | 95.7 Ų | 95.7 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -88.1 | -29.8 | 168.9 | -78.3 | -174.4 | 175.2 | -177 | 0 | 112.8 | I472 E473 | I472-K475 PolarHBondContact O-N 3.29Å; E473-K475 PolarHBondContact O-N 3.12Å |
| 476 | Q | 44.7 | Very low | 45 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -79.3 | -35.3 | 179.2 | -70.7 | 176.2 | -20.6 | 0 | 0 | 112.1 | I472 E473 I478 I479 | I472-Q476 PolarHBondContact O-N 3.07Å; E473-Q476 PolarHBondContact O-N 2.92Å; Q476-I478 PolarHBondContact O-N 3.4Å; Q476-I479 PolarHBondContact O-N 3.43Å; Q476-I479 VanDerWaalsContact O-O 3.04Å |
| 477 | K | 42.4 | Very low | 42.5 | Very low | 186 Ų | 186 | 108.2 Ų | 108.2 | 81% | 0.809 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -1.6 | -178.4 | -142.7 | 171.2 | -170.1 | 172.1 | 0 | 115.7 | E473 | E473-K477 PolarHBondContact O-N 3.29Š|
| 478 | I | 46.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 108 Ų | 108 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -9.3 | -179 | -63.5 | 177.1 | 0 | 0 | 0 | 111.6 | N474 Q476 | N474-I478 WeakPolarHBondContact O-CD1 3.43Å; Q476-I478 PolarHBondContact O-N 3.4Å |
| 479 | I | 43.7 | Very low | 39.5 | Very low | 103 Ų | 103 | 111.7 Ų | 111.7 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -124.4 | 133.6 | -178.1 | -53.2 | 179.5 | 0 | 0 | 0 | 108.5 | Q476 | Q476-I479 PolarHBondContact O-N 3.43Å; Q476-I479 VanDerWaalsContact O-O 3.04Å |
| 480 | T | 36.4 | Very low | 38.9 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | trans | 64.8 | 106 | -168.3 | 64.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 481 | G | 28.9 | Very low | 39.4 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -89.6 | 158.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 482 | S | 30.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 73.5 | 158 | -172.3 | 80.9 | 0 | 0 | 0 | 0 | 116 | ||
| 483 | S | 33.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | trans | 70.4 | 107.1 | -179.7 | -59 | 0 | 0 | 0 | 0 | 117.2 | A485 | S483-A485 PolarHBondContact O-N 3.48Š| ||
| 484 | K | 31.9 | Very low | 44.2 | Very low | 225 Ų | 225 | 116.2 Ų | 116.2 | 98% | 0.978 | 65% | 0.653 | S | S | * | * | trans | -67 | 111 | 160.4 | -71.6 | -175.5 | 174.7 | -172.1 | 0 | 108.3 | ||||
| 485 | A | 29.6 | Very low | 46.4 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | trans | -128.2 | 150.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S483 V487 | S483-A485 PolarHBondContact O-N 3.48Å; A485-V487 PolarHBondContact O-N 3.29Å; A485-V487 VanDerWaalsContact O-N 3.15Å | ||
| 486 | L | 28.5 | Very low | 48.6 | Very low | 166 Ų | 166 | 116 Ų | 116 | 87% | 0.869 | 64% | 0.644 | S | S | * | * | trans | -72.3 | 102.2 | -170.2 | -173.2 | 73.2 | 0 | 0 | 0 | 111.9 | ||||
| 487 | V | 31.5 | Very low | 50.9 | Low | 120 Ų | 120 | 111 Ų | 111 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -80 | 119.4 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | A485 P489 | A485-V487 PolarHBondContact O-N 3.29Å; A485-V487 VanDerWaalsContact O-N 3.15Å; V487-P489 WeakPolarHBondContact O-CD 3.41Å | ||
| 488 | T | 29.5 | Very low | 53.2 | Low | 101 Ų | 101 | 107.1 Ų | 107.1 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | trans | -90.5 | 108.4 | 173.8 | 49.6 | 0 | 0 | 0 | 0 | 111 | S490 | T488-S490 VanDerWaalsContact C-N 3.28Å; T488-S490 PolarHBondContact O-N 2.83Å | ||
| 489 | P | 35.3 | Very low | 55.3 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | trans | -87.8 | 61.8 | -174.9 | 36.9 | -35.6 | 0 | 0 | 0 | 111.1 | V487 | V487-P489 WeakPolarHBondContact O-CD 3.41Š| ||
| 490 | S | 47.9 | Very low | 57.5 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 70% | 0.699 | 57% | 0.568 | S | S | * | * | trans | -125.3 | 32.1 | -167.5 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | T488 | T488-S490 VanDerWaalsContact C-N 3.28Å; T488-S490 PolarHBondContact O-N 2.83Å | ||
| 491 | Q | 57.1 | Low | 60 | Low | 165 Ų | 165 | 95 Ų | 95 | 77% | 0.771 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 123 | 161 | -170.5 | 163.6 | 0.6 | 0 | 0 | 108.7 | ||
| 492 | S | 69.3 | Low | 62.8 | Low | 42 Ų | 42 | 96 Ų | 96 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.6 | 174.8 | 34.1 | 0 | 0 | 0 | 0 | 111.2 | I580 | S492-I580 WeakPolarHBondContact OG-CD1 3.43Š|
| 493 | Y | 84.6 | Confident | 65.5 | Low | 36 Ų | 36 | 95.7 Ų | 95.7 | 14% | 0.141 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137 | 167 | -162.7 | -94.7 | 0 | 0 | 0 | 109 | F466 N468 I495 I508 S578 L579 I580 | F466-Y493 HydrophobicContact CB-CD1 4.32Å; F466-Y493 HydrophobicContact CB-CD2 3.79Å; F466-Y493 HydrophobicContact CB-CE1 4.06Å; F466-Y493 HydrophobicContact CB-CE2 3.49Å; F466-Y493 VanDerWaalsContact CB-CE2 3.49Å; F466-Y493 HydrophobicContact CB-CG 4.2Å; F466-Y493 HydrophobicContact CD1-CD1 4.35Å; F466-Y493 HydrophobicContact CD1-CE1 4.47Å; F466-Y493 VanDerWaalsContact CD2-CB 3.49Å; F466-Y493 AromaticContact CD2-CD1 3.81Å; F466-Y493 HydrophobicContact CD2-CD1 3.81Å; F466-Y493 AromaticContact CD2-CD2 3.46Å; F466-Y493 HydrophobicContact CD2-CD2 3.46Å; F466-Y493 VanDerWaalsContact CD2-CD2 3.46Å; F466-Y493 HydrophobicContact CD2-CE1 4.4Å; F466-Y493 HydrophobicContact CD2-CE2 4.1Å; F466-Y493 AromaticContact CD2-CG 3.29Å; F466-Y493 HydrophobicContact CD2-CG 3.29Å; F466-Y493 HydrophobicContact CE2-CD1 4.09Å; F466-Y493 HydrophobicContact CE2-CD2 4.27Å; F466-Y493 AromaticContact CE2-CG 3.66Å; F466-Y493 HydrophobicContact CE2-CG 3.66Å; F466-Y493 AromaticContact CG-CD1 3.93Å; F466-Y493 HydrophobicContact CG-CD1 3.93Å; F466-Y493 AromaticContact CG-CD2 3.89Å; F466-Y493 HydrophobicContact CG-CD2 3.89Å; F466-Y493 HydrophobicContact CG-CE1 4.09Å; F466-Y493 HydrophobicContact CG-CE2 4.06Å; F466-Y493 AromaticContact CG-CG 3.82Å; F466-Y493 HydrophobicContact CG-CG 3.82Å; F466-Y493 HydrophobicContact CZ-CD1 4.49Å; F466-Y493 HydrophobicContact CZ-CG 4.48Å; N468-Y493 HydrophobicContact CB-CE2 4.21Å; N468-Y493 PolarHBondContact ND2-OH 3.22Å; Y493-I495 HydrophobicContact CD1-CG2 3.94Å; Y493-I495 HydrophobicContact CE1-CG2 3.6Å; Y493-I508 HydrophobicContact CD1-CD1 3.94Å; Y493-I508 HydrophobicContact CE1-CD1 3.58Å; Y493-S578 PolarHBondContact N-O 3.24Å; Y493-L579 HydrophobicContact CD1-CD1 3.79Å; Y493-L579 CarbonylContact O-C 3.27Å; Y493-L579 WeakPolarHBondContact O-CA 3.41Å; Y493-I580 PolarHBondContact O-N 3.41Å |
| 494 | E | 87.9 | Confident | 68.2 | Low | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.7 | -172.2 | -59 | -178.2 | 173.7 | 0 | 0 | 110.1 | I580 | E494-I580 WeakPolarHBondContact CA-O 3.34Å; E494-I580 HydrophobicContact CG-CB 4.24Å; E494-I580 HydrophobicContact CG-CD1 4.41Å |
| 495 | I | 90.2 | Very high | 70.9 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 13% | 0.128 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157 | 175.3 | 60.1 | 176.2 | 0 | 0 | 0 | 111.9 | Y493 I507 I508 L579 I580 I581 H582 | Y493-I495 HydrophobicContact CD1-CG2 3.94Å; Y493-I495 HydrophobicContact CE1-CG2 3.6Å; I495-I507 HydrophobicContact CD1-CG2 3.32Å; I495-I508 HydrophobicContact CD1-CB 4.18Å; I495-I508 HydrophobicContact CD1-CD1 4.47Å; I495-I508 HydrophobicContact CD1-CG2 4.23Å; I495-I508 HydrophobicContact CG2-CD1 4Å; I495-L579 HydrophobicContact CD1-CD1 4.03Å; I495-L579 HydrophobicContact CD1-CD2 4.24Å; I495-L579 HydrophobicContact CD1-CG 4.45Å; I495-L579 HydrophobicContact CG1-CD1 4.03Å; I495-L579 HydrophobicContact CG2-CD1 4.39Å; I495-I580 PolarHBondContact N-O 3.11Å; I495-I581 HydrophobicContact CD1-CD1 4.17Å; I495-I581 HydrophobicContact CD1-CG1 3.96Å; I495-I581 HydrophobicContact CG1-CB 4.33Å; I495-I581 HydrophobicContact CG1-CG1 3.92Å; I495-I581 HydrophobicContact CG1-CG2 4.36Å; I495-H582 PolarHBondContact O-N 2.57Å |
| 496 | W | 91.3 | Very high | 73.8 | Confident | 164 Ų | 164 | 85.3 Ų | 85.3 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.6 | -178.1 | -65.2 | 75.8 | 0 | 0 | 0 | 108.8 | H582 I584 | W496-H582 WeakPolarHBondContact CA-O 3.11Å; W496-H582 HydrophobicContact CD2-CB 3.58Å; W496-H582 AromaticContact CE2-CD2 3.57Å; W496-H582 AromaticContact CE2-CG 3.77Å; W496-H582 HydrophobicContact CE3-CB 3.47Å; W496-H582 VanDerWaalsContact CE3-CB 3.47Å; W496-H582 HydrophobicContact CG-CB 4.22Å; W496-H582 HydrophobicContact CH2-CB 3.92Å; W496-H582 AromaticContact CH2-CG 3.9Å; W496-H582 HydrophobicContact CZ2-CB 4.02Å; W496-H582 AromaticContact CZ2-CD2 3.72Å; W496-H582 AromaticContact CZ2-CG 3.69Å; W496-H582 HydrophobicContact CZ3-CB 3.65Å; W496-H582 AromaticContact NE1-CD2 3.66Å; W496-I584 HydrophobicContact CB-CD1 3.87Å; W496-I584 HydrophobicContact CB-CG1 3.88Å; W496-I584 HydrophobicContact CE3-CG1 4.12Å |
| 497 | I | 92.1 | Very high | 76.7 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.9 | 179.7 | 62.8 | -179.4 | 0 | 0 | 0 | 110.1 | I501 I507 L551 I581 H582 L583 I584 | I497-I501 HydrophobicContact CD1-CD1 3.87Å; I497-I507 HydrophobicContact CD1-CD1 4.13Å; I497-I507 HydrophobicContact CD1-CG1 4.05Å; I497-I507 HydrophobicContact CD1-CG2 4.25Å; I497-I507 HydrophobicContact CG2-CG2 3.98Å; I497-L551 HydrophobicContact CD1-CD1 3.76Å; I497-I581 HydrophobicContact CD1-CG2 3.37Å; I497-I581 HydrophobicContact CG1-CG2 3.62Å; I497-H582 PolarHBondContact N-O 2.84Å; I497-L583 HydrophobicContact CD1-CD2 4.06Å; I497-L583 HydrophobicContact CG1-CD2 3.72Å; I497-L583 CarbonylContact O-C 3.55Å; I497-L583 WeakPolarHBondContact O-CA 3.09Å; I497-I584 PolarHBondContact O-N 3.42Å |
| 498 | K | 90.7 | Very high | 79.5 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 146.4 | 169.8 | -69.3 | -171.4 | 168.9 | -143.8 | 0 | 110.5 | I501 I584 V586 | K498-I501 HydrophobicContact CB-CG2 4.38Å; K498-I501 WeakPolarHBondContact O-CG1 3.06Å; K498-I501 WeakPolarHBondContact O-CG2 3.4Å; K498-I584 HydrophobicContact CG-CB 4.28Å; K498-V586 HydrophobicContact CB-CG2 3.81Å; K498-V586 HydrophobicContact CD-CG2 3.73Å; K498-V586 HydrophobicContact CG-CG2 3.86Å |
| 499 | E | 91.4 | Very high | 82.4 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 2% | 0.023 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -39.2 | 174.7 | 64.5 | -152 | 111 | 0 | 0 | 113.2 | I501 L551 R553 L583 D585 V586 | E499-I501 PolarHBondContact O-N 2.9Å; E499-L551 HydrophobicContact CB-CB 4.24Å; E499-R553 WeakPolarHBondContact OE2-CB 3.32Å; E499-R553 PolarHBondContact OE2-N 3.05Å; E499-L583 HydrophobicContact CB-CD1 4.02Å; E499-D585 VanDerWaalsContact OE1-CA 3.27Å; E499-D585 WeakPolarHBondContact OE1-CA 3.27Å; E499-V586 HydrophobicContact CG-CB 4.27Å; E499-V586 HydrophobicContact CG-CG2 4.36Å; E499-V586 PolarHBondContact OE1-N 3.32Å |
| 500 | N | 88.6 | Confident | 85.1 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 15.4 | -175.7 | 83.4 | -22.5 | 0 | 0 | 0 | 115 | V586 | N500-V586 HydrophobicContact CB-CB 4.5Å; N500-V586 HydrophobicContact CB-CG1 4.42Å; N500-V586 HydrophobicContact CB-CG2 4.47Å |
| 501 | I | 88.7 | Confident | 87.1 | Confident | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -65 | 137.6 | 174 | 58 | 176.2 | 0 | 0 | 0 | 110.7 | I497 K498 E499 T505 I507 T547 L551 | I497-I501 HydrophobicContact CD1-CD1 3.87Å; K498-I501 HydrophobicContact CB-CG2 4.38Å; K498-I501 WeakPolarHBondContact O-CG1 3.06Å; K498-I501 WeakPolarHBondContact O-CG2 3.4Å; E499-I501 PolarHBondContact O-N 2.9Å; I501-T505 HydrophobicContact CB-CG2 4.24Å; I501-T505 HydrophobicContact CD1-CG2 4.44Å; I501-I507 HydrophobicContact CD1-CG1 4.16Å; I501-T547 HydrophobicContact CD1-CG2 3.54Å; I501-T547 HydrophobicContact CG1-CG2 3.99Å; I501-L551 HydrophobicContact CD1-CD1 3.96Å; I501-L551 HydrophobicContact CG1-CD1 4.13Å |
| 502 | P | 88.8 | Confident | 88.6 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 150.1 | 176.9 | -27 | 34.6 | 0 | 0 | 0 | 112.8 | T505 T547 | P502-T505 WeakPolarHBondContact CD-OG1 3.41Å; P502-T505 VanDerWaalsContact O-CB 3.23Å; P502-T505 WeakPolarHBondContact O-CB 3.32Å; P502-T505 PolarHBondContact O-N 3Å; P502-T505 PolarHBondContact O-OG1 2.76Å; P502-T547 PolarHBondContact O-OG1 3.01Å |
| 503 | K | 87.2 | Confident | 89.5 | Confident | 105 Ų | 105 | 60.8 Ų | 60.8 | 46% | 0.457 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 139.2 | 164.7 | 174.9 | 174.5 | 168.9 | 139 | 0 | 110.2 | Q548 L550 | K503-Q548 VanDerWaalsContact CD-O 3.29Å; K503-Q548 WeakPolarHBondContact CD-O 3.09Å; K503-Q548 WeakPolarHBondContact CE-O 3.38Å; K503-Q548 PolarHBondContact NZ-O 2.63Å; K503-L550 HydrophobicContact CB-CD2 4.39Å |
| 504 | H | 89.3 | Confident | 89.8 | Confident | 108 Ų | 108 | 60 Ų | 60 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 35.9 | -169.8 | -50.7 | -61.7 | 0 | 0 | 0 | 113.9 | T547 | H504-T547 VanDerWaalsContact CA-O 3.29Å; H504-T547 WeakPolarHBondContact CA-O 3.33Å; H504-T547 PolarHBondContact N-O 2.96Å; H504-T547 PolarHBondContact N-OG1 2.94Å; H504-T547 VanDerWaalsContact N-OG1 3.09Å |
| 505 | T | 89.7 | Confident | 89.9 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | trans | -89.2 | 130.3 | 167.5 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | I501 P502 I507 E546 T547 | I501-T505 HydrophobicContact CB-CG2 4.24Å; I501-T505 HydrophobicContact CD1-CG2 4.44Å; P502-T505 WeakPolarHBondContact CD-OG1 3.41Å; P502-T505 VanDerWaalsContact O-CB 3.23Å; P502-T505 WeakPolarHBondContact O-CB 3.32Å; P502-T505 PolarHBondContact O-N 3Å; P502-T505 PolarHBondContact O-OG1 2.76Å; T505-I507 PolarHBondContact O-N 2.92Å; T505-E546 VanDerWaalsContact O-CA 3.26Å; T505-E546 WeakPolarHBondContact O-CA 3.48Å; T505-T547 PolarHBondContact N-OG1 3.48Å; T505-T547 PolarHBondContact O-N 2.05Å; T505-T547 VanDerWaalsContact O-N 3.13Å | ||
| 506 | P | 90.7 | Very high | 90 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.3 | 170.6 | 29.1 | -34.3 | 0 | 0 | 0 | 111 | F509 E546 | P506-F509 HydrophobicContact CB-CE2 4.2Å; P506-F509 HydrophobicContact CB-CZ 3.97Å; P506-F509 HydrophobicContact CG-CZ 4.47Å; P506-E546 HydrophobicContact CB-CG 4.34Å |
| 507 | I | 89.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -51.3 | -176.5 | -69.9 | 158.9 | 0 | 0 | 0 | 110.9 | I495 I497 I501 T505 F534 I545 T547 I581 | I495-I507 HydrophobicContact CD1-CG2 3.32Å; I497-I507 HydrophobicContact CD1-CD1 4.13Å; I497-I507 HydrophobicContact CD1-CG1 4.05Å; I497-I507 HydrophobicContact CD1-CG2 4.25Å; I497-I507 HydrophobicContact CG2-CG2 3.98Å; I501-I507 HydrophobicContact CD1-CG1 4.16Å; T505-I507 PolarHBondContact O-N 2.92Å; I507-F534 HydrophobicContact CD1-CD1 3.52Å; I507-F534 HydrophobicContact CD1-CE1 3.54Å; I507-I545 HydrophobicContact CD1-CG2 4.37Å; I507-I545 PolarHBondContact N-O 3.21Å; I507-T547 HydrophobicContact CD1-CG2 3.8Å; I507-T547 HydrophobicContact CG1-CG2 4.32Å; I507-I581 HydrophobicContact CD1-CD1 4.49Å; I507-I581 HydrophobicContact CG2-CD1 4.15Å |
| 508 | I | 90 | Very high | 89.5 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147.3 | -177.8 | -173.6 | 161.7 | 0 | 0 | 0 | 109.8 | F466 Y493 I495 R544 I545 L579 | F466-I508 HydrophobicContact CD1-CD1 3.42Å; F466-I508 VanDerWaalsContact CD1-CD1 3.42Å; F466-I508 HydrophobicContact CD1-CG1 4.02Å; F466-I508 HydrophobicContact CE1-CD1 3.62Å; F466-I508 HydrophobicContact CE1-CG1 4.18Å; F466-I508 HydrophobicContact CG-CD1 4.24Å; Y493-I508 HydrophobicContact CD1-CD1 3.94Å; Y493-I508 HydrophobicContact CE1-CD1 3.58Å; I495-I508 HydrophobicContact CD1-CB 4.18Å; I495-I508 HydrophobicContact CD1-CD1 4.47Å; I495-I508 HydrophobicContact CD1-CG2 4.23Å; I495-I508 HydrophobicContact CG2-CD1 4Å; I508-R544 WeakPolarHBondContact O-CA 3.36Å; I508-I545 HydrophobicContact CG2-CB 4.06Å; I508-I545 HydrophobicContact CG2-CD1 4.03Å; I508-I545 HydrophobicContact CG2-CG1 4.3Å; I508-I545 PolarHBondContact O-N 3.31Å; I508-L579 HydrophobicContact CD1-CD1 4.29Å; I508-L579 HydrophobicContact CG2-CD2 3.79Å |
| 509 | F | 90.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 39% | 0.386 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 143.1 | 169.6 | -62.3 | -93 | 0 | 0 | 0 | 108.8 | P506 L539 L542 Y543 R544 | P506-F509 HydrophobicContact CB-CE2 4.2Å; P506-F509 HydrophobicContact CB-CZ 3.97Å; P506-F509 HydrophobicContact CG-CZ 4.47Å; F509-L539 HydrophobicContact CE1-CD1 4.05Å; F509-L542 HydrophobicContact CB-CD1 4.07Å; F509-L542 HydrophobicContact CB-CD2 4.1Å; F509-L542 HydrophobicContact CB-CG 4.23Å; F509-L542 HydrophobicContact CD1-CD2 3.54Å; F509-L542 HydrophobicContact CD1-CG 4.03Å; F509-L542 HydrophobicContact CE1-CD2 4.32Å; F509-L542 HydrophobicContact CG-CD2 4.12Å; F509-Y543 CarbonylContact C-O 3.53Å; F509-Y543 VanDerWaalsContact CA-O 3.28Å; F509-Y543 WeakPolarHBondContact CA-O 3.17Å; F509-R544 HydrophobicContact CD1-CB 3.59Å; F509-R544 HydrophobicContact CE1-CB 3.65Å; F509-R544 HydrophobicContact CE1-CG 4.43Å; F509-R544 HydrophobicContact CG-CB 4.36Å; F509-R544 HydrophobicContact CZ-CB 4.43Å |
| 510 | F | 90.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.8 | 176.5 | 68.7 | -91.2 | 0 | 0 | 0 | 110.9 | I464 F466 V512 C525 I536 Y543 I545 I563 | I464-F510 HydrophobicContact CG2-CD2 3.86Å; I464-F510 HydrophobicContact CG2-CE2 4.33Å; I464-F510 HydrophobicContact CG2-CG 4.5Å; F466-F510 HydrophobicContact CD1-CB 3.63Å; F466-F510 HydrophobicContact CE1-CB 3.62Å; F466-F510 HydrophobicContact CE1-CD1 4.48Å; F466-F510 HydrophobicContact CE1-CG 4.28Å; F510-V512 HydrophobicContact CD2-CG2 3.81Å; F510-V512 HydrophobicContact CE2-CG2 3.61Å; F510-C525 HydrophobicContact CZ-CB 4.43Å; F510-I536 HydrophobicContact CE1-CD1 4.31Å; F510-I536 HydrophobicContact CE1-CG1 4.45Å; F510-I536 HydrophobicContact CZ-CD1 4.04Å; F510-Y543 HydrophobicContact CE2-CD2 4.09Å; F510-Y543 HydrophobicContact CE2-CG 4.01Å; F510-Y543 HydrophobicContact CZ-CD2 4.5Å; F510-Y543 AromaticContact CZ-CG 3.97Å; F510-Y543 HydrophobicContact CZ-CG 3.97Å; F510-Y543 PolarHBondContact N-O 2.83Å; F510-Y543 PolarHBondContact O-N 3.07Å; F510-I545 HydrophobicContact CD1-CD1 4.46Å; F510-I545 HydrophobicContact CD1-CG1 4.39Å; F510-I545 HydrophobicContact CE1-CD1 4.17Å; F510-I545 HydrophobicContact CE1-CG1 3.95Å; F510-I563 HydrophobicContact CD1-CD1 4.26Å; F510-I563 HydrophobicContact CE1-CD1 4.1Å; F510-I563 HydrophobicContact CE2-CG2 4.11Å; F510-I563 HydrophobicContact CZ-CD1 4.36Å; F510-I563 HydrophobicContact CZ-CG2 3.81Å |
| 511 | N | 89.9 | Confident | 89.2 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.353 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 147.3 | 172.5 | -69.5 | -45.2 | 0 | 0 | 0 | 108.9 | Y465 L542 | Y465-N511 PolarHBondContact N-O 2.68Å; Y465-N511 PolarHBondContact O-N 3.06Å; N511-L542 WeakPolarHBondContact OD1-CD1 3Å |
| 512 | V | 89.4 | Confident | 89.2 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.3 | 163.3 | -173.7 | 0 | 0 | 0 | 0 | 106.9 | P462 M463 I464 F510 I523 Y543 C565 | P462-V512 HydrophobicContact CB-CG1 3.77Å; M463-V512 WeakPolarHBondContact O-CA 3.34Å; I464-V512 HydrophobicContact CG1-CG2 4.3Å; F510-V512 HydrophobicContact CD2-CG2 3.81Å; F510-V512 HydrophobicContact CE2-CG2 3.61Å; V512-I523 HydrophobicContact CB-CG1 4.15Å; V512-I523 HydrophobicContact CB-CG2 4.11Å; V512-I523 HydrophobicContact CG1-CD1 3.63Å; V512-I523 HydrophobicContact CG1-CG1 3.81Å; V512-I523 HydrophobicContact CG1-CG2 3.94Å; V512-I523 HydrophobicContact CG2-CG2 4.31Å; V512-Y543 HydrophobicContact CB-CD2 4.49Å; V512-Y543 HydrophobicContact CB-CE2 4.39Å; V512-Y543 HydrophobicContact CG2-CD2 3.85Å; V512-Y543 HydrophobicContact CG2-CE2 4.08Å; V512-C565 HydrophobicContact CG1-CB 4.3Å; V512-C565 HydrophobicContact CG2-CB 4.35Å |
| 513 | I | 88.9 | Confident | 89.3 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 104.1 | 177.4 | -56.7 | 176.7 | 0 | 0 | 0 | 106.4 | M463 Y465 | M463-I513 PolarHBondContact N-O 3.1Å; M463-I513 PolarHBondContact O-N 3.03Å; Y465-I513 HydrophobicContact CD2-CB 4.23Å; Y465-I513 HydrophobicContact CD2-CD1 3.93Å; Y465-I513 HydrophobicContact CD2-CG1 4.06Å; Y465-I513 HydrophobicContact CE2-CB 4.05Å; Y465-I513 HydrophobicContact CE2-CD1 4.01Å; Y465-I513 HydrophobicContact CE2-CG1 4.26Å |
| 514 | D | 90.3 | Very high | 89.5 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | trans | -84.4 | 162.6 | 150.5 | -135.5 | -60.9 | 0 | 0 | 0 | 109.9 | P462 I523 | P462-D514 WeakPolarHBondContact CA-OD2 3.38Å; P462-D514 WeakPolarHBondContact CB-OD2 3.26Å; P462-D514 WeakPolarHBondContact CD-OD2 3.32Å; P462-D514 VanDerWaalsContact N-OD2 3.16Å; D514-I523 HydrophobicContact CB-CD1 3.97Å | ||
| 515 | R | 89.6 | Confident | 89.7 | Confident | 139 Ų | 139 | 53.4 Ų | 53.4 | 53% | 0.525 | 28% | 0.283 | S | S | . | . | trans | -116.6 | -22.5 | -178.9 | -56.8 | -170.7 | 174.8 | 172.7 | 4.7 | 114.1 | E402 N460 | E402-R515 HydrophobicContact CG-CB 3.41Å; E402-R515 VanDerWaalsContact CG-CB 3.41Å; N460-R515 HydrophobicContact CB-CB 4.25Å | ||
| 516 | D | 91.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -61.5 | -167.6 | 173.3 | -58.2 | 2.3 | 0 | 0 | 0 | 110.6 | N458 D459 N460 N520 S521 | N458-D516 VanDerWaalsContact CA-OD2 3.26Å; N458-D516 WeakPolarHBondContact CA-OD2 3.36Å; D459-D516 PolarHBondContact N-OD2 3.2Å; D459-D516 VanDerWaalsContact N-OD2 3.11Å; N460-D516 WeakPolarHBondContact CB-OD1 3.2Å; N460-D516 PolarHBondContact N-OD1 2.82Å; N460-D516 PolarHBondContact ND2-OD1 3Å; D516-N520 HydrophobicContact CB-CB 3.55Å; D516-S521 VanDerWaalsContact O-CB 3.26Å; D516-S521 WeakPolarHBondContact O-CB 3.28Å |
| 517 | T | 87.5 | Confident | 90 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | trans | -141.7 | 159.4 | 179.8 | 59.9 | 0 | 0 | 0 | 0 | 115.2 | Y401 D456 Q519 N520 S521 | Y401-T517 HydrophobicContact CE1-CG2 3.77Å; Y401-T517 VanDerWaalsContact CE1-OG1 3.31Å; Y401-T517 WeakPolarHBondContact CE1-OG1 3.42Å; Y401-T517 PolarHBondContact OH-OG1 3.39Å; Y401-T517 VanDerWaalsContact OH-OG1 3.11Å; D456-T517 VanDerWaalsContact CG-OG1 3.32Å; D456-T517 WeakPolarHBondContact OD1-CA 3.42Å; D456-T517 WeakPolarHBondContact OD1-CB 3.21Å; D456-T517 PolarHBondContact OD1-N 3.25Å; D456-T517 PolarHBondContact OD1-OG1 3.15Å; D456-T517 PolarHBondContact OD2-N 3.24Å; T517-Q519 PolarHBondContact O-N 3.21Å; T517-N520 PolarHBondContact O-N 3.03Å; T517-S521 WeakPolarHBondContact CA-OG 3.41Å | ||
| 518 | G | 87.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -107.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | S521 | G518-S521 PolarHBondContact N-OG 3.33Å; G518-S521 VanDerWaalsContact N-OG 3.13Å |
| 519 | Q | 86.6 | Confident | 90.2 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -28.1 | 175 | -65.5 | -171.7 | 7.2 | 0 | 0 | 111.7 | T517 R522 M568 | T517-Q519 PolarHBondContact O-N 3.21Å; Q519-R522 WeakPolarHBondContact O-CB 3.18Å; Q519-R522 PolarHBondContact O-N 3.07Å; Q519-M568 CarbonylContact O-C 3.58Å; Q519-M568 WeakPolarHBondContact O-CB 3.42Å; Q519-M568 PolarHBondContact O-N 2.8Å |
| 520 | N | 87.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -42.9 | 175.7 | -60.3 | -6.6 | 0 | 0 | 0 | 109.9 | D456 N458 D516 T517 R522 D567 G569 | D456-N520 PolarHBondContact OD2-ND2 3.07Å; N458-N520 HydrophobicContact CB-CB 4.2Å; N458-N520 PolarHBondContact N-ND2 3.22Å; N458-N520 WeakPolarHBondContact OD1-CA 3.27Å; N458-N520 WeakPolarHBondContact OD1-CB 3.09Å; N458-N520 VanDerWaalsContact OD1-CG 3.29Å; N458-N520 PolarHBondContact OD1-OD1 3.05Å; D516-N520 HydrophobicContact CB-CB 3.55Å; T517-N520 PolarHBondContact O-N 3.03Å; N520-R522 PolarHBondContact O-N 2.93Å; N520-R522 VanDerWaalsContact O-N 3.12Å; N520-D567 WeakPolarHBondContact O-CB 3.46Å; N520-G569 VanDerWaalsContact OD1-CA 3.32Å; N520-G569 WeakPolarHBondContact OD1-CA 3.42Å |
| 521 | S | 88.4 | Confident | 90 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 4.3 | 171.3 | 71.2 | 0 | 0 | 0 | 0 | 116.1 | D516 T517 G518 I523 | D516-S521 VanDerWaalsContact O-CB 3.26Å; D516-S521 WeakPolarHBondContact O-CB 3.28Å; T517-S521 WeakPolarHBondContact CA-OG 3.41Å; G518-S521 PolarHBondContact N-OG 3.33Å; G518-S521 VanDerWaalsContact N-OG 3.13Å; S521-I523 PolarHBondContact O-N 3.23Å |
| 522 | R | 89.5 | Confident | 90 | Very high | 156 Ų | 156 | 62 Ų | 62 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | trans | -93.8 | 93 | -168.8 | -171 | -175.9 | 177.9 | -170.4 | -1.4 | 111.7 | Q519 N520 D567 M568 | Q519-R522 WeakPolarHBondContact O-CB 3.18Å; Q519-R522 PolarHBondContact O-N 3.07Å; N520-R522 PolarHBondContact O-N 2.93Å; N520-R522 VanDerWaalsContact O-N 3.12Å; R522-D567 CarbonylContact O-C 3.58Å; R522-M568 HydrophobicContact CB-CB 4.22Å; R522-M568 HydrophobicContact CB-CG 4.34Å; R522-M568 HydrophobicContact CG-CG 4.36Å; R522-M568 WeakPolarHBondContact O-CG 3.2Å; R522-M568 PolarHBondContact O-N 2.92Å | ||
| 523 | I | 90.5 | Very high | 90.1 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | trans | -63.1 | 142.7 | -178.8 | -51.6 | -52.6 | 0 | 0 | 0 | 113.4 | P462 V512 D514 S521 C525 Y543 C565 N566 | P462-I523 HydrophobicContact CB-CD1 3.53Å; V512-I523 HydrophobicContact CB-CG1 4.15Å; V512-I523 HydrophobicContact CB-CG2 4.11Å; V512-I523 HydrophobicContact CG1-CD1 3.63Å; V512-I523 HydrophobicContact CG1-CG1 3.81Å; V512-I523 HydrophobicContact CG1-CG2 3.94Å; V512-I523 HydrophobicContact CG2-CG2 4.31Å; D514-I523 HydrophobicContact CB-CD1 3.97Å; S521-I523 PolarHBondContact O-N 3.23Å; I523-C525 WeakPolarHBondContact CG2-SG 3.4Å; I523-Y543 HydrophobicContact CB-CE2 4.26Å; I523-Y543 HydrophobicContact CG2-CE2 3.69Å; I523-Y543 WeakPolarHBondContact CG2-OH 3.29Å; I523-Y543 PolarHBondContact O-OH 2.97Å; I523-C565 HydrophobicContact CG2-CB 4.21Å; I523-N566 CarbonylContact C-O 3.55Å; I523-N566 WeakPolarHBondContact CA-O 3.39Å | ||
| 524 | S | 91.3 | Very high | 90.4 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 108.1 | 163.6 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | N566 | S524-N566 PolarHBondContact N-O 2.74Å; S524-N566 PolarHBondContact O-N 2.88Å |
| 525 | C | 93.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 143.7 | 179.5 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | F510 I523 I536 Y543 Q564 C565 | F510-C525 HydrophobicContact CZ-CB 4.43Å; I523-C525 WeakPolarHBondContact CG2-SG 3.4Å; C525-I536 HydrophobicContact CB-CD1 4.23Å; C525-I536 HydrophobicContact CB-CG2 4.47Å; C525-Y543 HydrophobicContact CB-CD1 4.2Å; C525-Y543 HydrophobicContact CB-CE1 4.11Å; C525-Q564 CarbonylContact C-O 3.49Å; C525-Q564 WeakPolarHBondContact CA-O 3.49Å; C525-C565 HydrophobicContact CB-CB 4.16Å; C525-C565 WeakPolarHBondContact CB-SG 3.32Å; C525-C565 WeakPolarHBondContact SG-CB 3.39Å; C525-C565 CovalentContact SG-SG 2.05Å; C525-C565 PolarHBondContact SG-SG 2.91Å |
| 526 | Q | 93 | Very high | 90.7 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 161.2 | 174.8 | 63.7 | 178.4 | -3.3 | 0 | 0 | 112 | Q564 | Q526-Q564 HydrophobicContact CG-CB 4.26Å; Q526-Q564 PolarHBondContact N-O 2.87Å; Q526-Q564 PolarHBondContact O-N 2.99Å; Q526-Q564 VanDerWaalsContact O-O 3.09Å |
| 527 | L | 94 | Very high | 90.6 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.5 | 169.2 | -60 | -177.4 | 0 | 0 | 0 | 109.3 | N529 T531 F534 I536 I561 I563 | L527-N529 VanDerWaalsContact C-N 3.32Å; L527-T531 HydrophobicContact CB-CG2 3.79Å; L527-T531 WeakPolarHBondContact O-CG2 3.33Å; L527-F534 HydrophobicContact CD1-CB 3.92Å; L527-I536 HydrophobicContact CD1-CG1 4.41Å; L527-I536 HydrophobicContact CD2-CD1 3.41Å; L527-I536 VanDerWaalsContact CD2-CD1 3.41Å; L527-I536 HydrophobicContact CD2-CG1 3.8Å; L527-I536 HydrophobicContact CG-CD1 3.79Å; L527-I536 HydrophobicContact CG-CG1 3.89Å; L527-I561 HydrophobicContact CD1-CG2 4.28Å; L527-I561 HydrophobicContact CD2-CG2 3.56Å; L527-I561 HydrophobicContact CG-CG2 4.39Å; L527-I563 HydrophobicContact CD2-CG1 4.06Å |
| 528 | L | 92.1 | Very high | 90.7 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -79.7 | -15.5 | 177.8 | -64.9 | -178.1 | 0 | 0 | 0 | 113.2 | I562 Q564 T576 | L528-I562 HydrophobicContact CB-CB 4.33Å; L528-I562 HydrophobicContact CD1-CG2 3.94Å; L528-I562 PolarHBondContact N-O 3.05Å; L528-Q564 HydrophobicContact CD1-CB 4.13Å; L528-Q564 HydrophobicContact CD2-CB 4.17Å; L528-Q564 HydrophobicContact CG-CB 3.98Å; L528-T576 HydrophobicContact CD1-CG2 4.31Å |
| 529 | N | 91.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -150 | 167.7 | -179.7 | 66.5 | -32.3 | 0 | 0 | 0 | 111.9 | L527 T531 T560 I562 | L527-N529 VanDerWaalsContact C-N 3.32Å; N529-T531 PolarHBondContact O-N 3.13Å; N529-T531 VanDerWaalsContact O-N 3.16Å; N529-T560 PolarHBondContact ND2-O 2.76Å; N529-I562 PolarHBondContact OD1-N 2.88Å |
| 530 | S | 88.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | trans | 56.7 | 27.7 | 176.3 | -48.9 | 0 | 0 | 0 | 0 | 115.3 | D532 I533 F534 | S530-D532 PolarHBondContact O-N 3.48Å; S530-I533 PolarHBondContact O-N 2.84Å; S530-F534 PolarHBondContact O-N 2.93Å | ||
| 531 | T | 89.3 | Confident | 89.6 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.3 | -178.6 | 44.2 | 0 | 0 | 0 | 0 | 114.8 | L527 N529 F534 Q548 | L527-T531 HydrophobicContact CB-CG2 3.79Å; L527-T531 WeakPolarHBondContact O-CG2 3.33Å; N529-T531 PolarHBondContact O-N 3.13Å; N529-T531 VanDerWaalsContact O-N 3.16Å; T531-F534 WeakPolarHBondContact CA-O 3.18Å; T531-Q548 PolarHBondContact O-NE2 3.07Å |
| 532 | D | 88.8 | Confident | 89.5 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -27.2 | 169.8 | 56.5 | -34.1 | 0 | 0 | 0 | 112.4 | S530 Q548 S549 | S530-D532 PolarHBondContact O-N 3.48Å; D532-Q548 PolarHBondContact O-NE2 3.03Å; D532-S549 PolarHBondContact O-OG 2.91Å |
| 533 | I | 91.7 | Very high | 89.5 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -37.3 | -177.2 | -54.6 | 177 | 0 | 0 | 0 | 111.7 | S530 Q548 S549 L551 Y559 | S530-I533 PolarHBondContact O-N 2.84Å; I533-Q548 WeakPolarHBondContact O-CA 3.36Å; I533-Q548 PolarHBondContact O-N 2.89Å; I533-S549 PolarHBondContact O-N 2.87Å; I533-L551 HydrophobicContact CG2-CD2 3.43Å; I533-L551 VanDerWaalsContact CG2-CD2 3.43Å; I533-Y559 HydrophobicContact CD1-CD1 4.29Å; I533-Y559 HydrophobicContact CD1-CE1 3.43Å; I533-Y559 VanDerWaalsContact CD1-CE1 3.43Å |
| 534 | F | 94.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.5 | -177 | -55.3 | -82.1 | 0 | 0 | 0 | 111.9 | I507 L527 S530 T531 I545 E546 L551 Y559 I561 I581 | I507-F534 HydrophobicContact CD1-CD1 3.52Å; I507-F534 HydrophobicContact CD1-CE1 3.54Å; L527-F534 HydrophobicContact CD1-CB 3.92Å; S530-F534 PolarHBondContact O-N 2.93Å; T531-F534 WeakPolarHBondContact CA-O 3.18Å; F534-I545 HydrophobicContact CB-CG2 4.19Å; F534-I545 HydrophobicContact CD1-CG2 4.41Å; F534-E546 WeakPolarHBondContact CA-O 3.38Å; F534-L551 HydrophobicContact CE1-CD1 4.39Å; F534-L551 HydrophobicContact CE1-CD2 4.14Å; F534-L551 HydrophobicContact CZ-CD2 3.92Å; F534-Y559 AromaticContact CE2-CD1 3.99Å; F534-Y559 HydrophobicContact CE2-CD1 3.99Å; F534-Y559 AromaticContact CE2-CD2 3.94Å; F534-Y559 HydrophobicContact CE2-CD2 3.94Å; F534-Y559 HydrophobicContact CE2-CE1 4.49Å; F534-Y559 HydrophobicContact CE2-CE2 4.43Å; F534-Y559 AromaticContact CE2-CG 3.68Å; F534-Y559 HydrophobicContact CE2-CG 3.68Å; F534-Y559 AromaticContact CZ-CD2 3.73Å; F534-Y559 HydrophobicContact CZ-CD2 3.73Å; F534-Y559 HydrophobicContact CZ-CE2 4.19Å; F534-Y559 AromaticContact CZ-CG 3.94Å; F534-Y559 HydrophobicContact CZ-CG 3.94Å; F534-I561 HydrophobicContact CB-CD1 4.02Å; F534-I561 HydrophobicContact CD1-CD1 3.99Å; F534-I561 HydrophobicContact CD2-CD1 3.37Å; F534-I561 HydrophobicContact CD2-CG1 4.11Å; F534-I561 HydrophobicContact CE1-CD1 4.31Å; F534-I561 HydrophobicContact CE2-CD1 3.74Å; F534-I561 HydrophobicContact CE2-CG1 4.32Å; F534-I561 HydrophobicContact CG-CD1 3.51Å; F534-I561 HydrophobicContact CZ-CD1 4.19Å; F534-I581 HydrophobicContact CD1-CD1 4.42Å; F534-I581 HydrophobicContact CE1-CD1 3.95Å; F534-I581 HydrophobicContact CZ-CD1 4.19Å |
| 535 | S | 93.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.6 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 111 | I545 E546 | S535-I545 CarbonylContact O-C 3.53Å; S535-I545 WeakPolarHBondContact O-CA 3.34Å; S535-E546 PolarHBondContact N-O 3.19Å; S535-E546 PolarHBondContact O-N 3.06Å; S535-E546 PolarHBondContact OG-O 3.24Å |
| 536 | I | 93.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.5 | 167.5 | -78.1 | 172.9 | 0 | 0 | 0 | 109 | F510 C525 L527 Y543 R544 I545 I563 | F510-I536 HydrophobicContact CE1-CD1 4.31Å; F510-I536 HydrophobicContact CE1-CG1 4.45Å; F510-I536 HydrophobicContact CZ-CD1 4.04Å; C525-I536 HydrophobicContact CB-CD1 4.23Å; C525-I536 HydrophobicContact CB-CG2 4.47Å; L527-I536 HydrophobicContact CD1-CG1 4.41Å; L527-I536 HydrophobicContact CD2-CD1 3.41Å; L527-I536 VanDerWaalsContact CD2-CD1 3.41Å; L527-I536 HydrophobicContact CD2-CG1 3.8Å; L527-I536 HydrophobicContact CG-CD1 3.79Å; L527-I536 HydrophobicContact CG-CG1 3.89Å; I536-Y543 HydrophobicContact CG2-CD1 3.83Å; I536-R544 WeakPolarHBondContact CA-O 3.26Å; I536-I545 HydrophobicContact CG1-CG1 3.98Å; I536-I563 HydrophobicContact CD1-CG2 4.18Å |
| 537 | H | 89.6 | Confident | 89.6 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.1 | 168.8 | -72.5 | -78.5 | 0 | 0 | 0 | 110.5 | R544 E546 | H537-R544 HydrophobicContact CB-CG 3.8Å; H537-R544 PolarHBondContact N-O 3.09Å; H537-R544 PolarHBondContact O-N 3.2Å; H537-E546 IonicContact CD2-OE2 2.66Å; H537-E546 PolarHBondContact CD2-OE2 3.15Å; H537-E546 IonicContact CG-OE2 3.67Å; H537-E546 IonicContact NE2-OE2 3.07Å |
| 538 | E | 88.9 | Confident | 89.4 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.1 | 175.5 | -173.3 | 177.5 | 122.1 | 0 | 0 | 110.1 | Y543 | E538-Y543 HydrophobicContact CB-CD1 4.11Å; E538-Y543 HydrophobicContact CB-CE1 3.73Å; E538-Y543 HydrophobicContact CG-CD1 4.37Å; E538-Y543 HydrophobicContact CG-CE1 3.69Å; E538-Y543 PolarHBondContact OE2-OH 2.9Å |
| 539 | L | 83.4 | Confident | 89.2 | Confident | 72 Ų | 72 | 54 Ų | 54 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 72.2 | -177 | -66.7 | 177.6 | 0 | 0 | 0 | 110.2 | F509 D541 L542 R544 | F509-L539 HydrophobicContact CE1-CD1 4.05Å; L539-D541 PolarHBondContact O-N 2.91Å; L539-L542 CarbonylContact C-O 3.51Å; L539-L542 WeakPolarHBondContact CA-O 3.42Å; L539-L542 WeakPolarHBondContact CB-O 3.28Å; L539-L542 PolarHBondContact N-O 3.05Å; L539-L542 PolarHBondContact O-N 3.02Å; L539-R544 HydrophobicContact CD1-CB 4.41Å; L539-R544 HydrophobicContact CD1-CG 3.92Å; L539-R544 HydrophobicContact CG-CG 4.46Å |
| 540 | S | 78.5 | Confident | 89.1 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 74% | 0.741 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | -101.8 | -171.4 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 541 | D | 76.5 | Confident | 89.2 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 80% | 0.802 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 6.5 | -173.2 | -45.2 | -45.7 | 0 | 0 | 0 | 112.6 | L539 | L539-D541 PolarHBondContact O-N 2.91Š|
| 542 | L | 85.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.4 | -172.2 | -175.3 | 65.6 | 0 | 0 | 0 | 110.9 | F509 N511 L539 | F509-L542 HydrophobicContact CB-CD1 4.07Å; F509-L542 HydrophobicContact CB-CD2 4.1Å; F509-L542 HydrophobicContact CB-CG 4.23Å; F509-L542 HydrophobicContact CD1-CD2 3.54Å; F509-L542 HydrophobicContact CD1-CG 4.03Å; F509-L542 HydrophobicContact CE1-CD2 4.32Å; F509-L542 HydrophobicContact CG-CD2 4.12Å; N511-L542 WeakPolarHBondContact OD1-CD1 3Å; L539-L542 CarbonylContact C-O 3.51Å; L539-L542 WeakPolarHBondContact CA-O 3.42Å; L539-L542 WeakPolarHBondContact CB-O 3.28Å; L539-L542 PolarHBondContact N-O 3.05Å; L539-L542 PolarHBondContact O-N 3.02Å |
| 543 | Y | 91.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.4 | 170.3 | -68.9 | -83.2 | 0 | 0 | 0 | 110.8 | F509 F510 V512 I523 C525 I536 E538 | F509-Y543 CarbonylContact C-O 3.53Å; F509-Y543 VanDerWaalsContact CA-O 3.28Å; F509-Y543 WeakPolarHBondContact CA-O 3.17Å; F510-Y543 HydrophobicContact CE2-CD2 4.09Å; F510-Y543 HydrophobicContact CE2-CG 4.01Å; F510-Y543 HydrophobicContact CZ-CD2 4.5Å; F510-Y543 AromaticContact CZ-CG 3.97Å; F510-Y543 HydrophobicContact CZ-CG 3.97Å; F510-Y543 PolarHBondContact N-O 2.83Å; F510-Y543 PolarHBondContact O-N 3.07Å; V512-Y543 HydrophobicContact CB-CD2 4.49Å; V512-Y543 HydrophobicContact CB-CE2 4.39Å; V512-Y543 HydrophobicContact CG2-CD2 3.85Å; V512-Y543 HydrophobicContact CG2-CE2 4.08Å; I523-Y543 HydrophobicContact CB-CE2 4.26Å; I523-Y543 HydrophobicContact CG2-CE2 3.69Å; I523-Y543 WeakPolarHBondContact CG2-OH 3.29Å; I523-Y543 PolarHBondContact O-OH 2.97Å; C525-Y543 HydrophobicContact CB-CD1 4.2Å; C525-Y543 HydrophobicContact CB-CE1 4.11Å; I536-Y543 HydrophobicContact CG2-CD1 3.83Å; E538-Y543 HydrophobicContact CB-CD1 4.11Å; E538-Y543 HydrophobicContact CB-CE1 3.73Å; E538-Y543 HydrophobicContact CG-CD1 4.37Å; E538-Y543 HydrophobicContact CG-CE1 3.69Å; E538-Y543 PolarHBondContact OE2-OH 2.9Å |
| 544 | R | 91.4 | Very high | 89.4 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.7 | 169.6 | 68.7 | 172.1 | 179.7 | -167.8 | 19.8 | 111.8 | I508 F509 I536 H537 L539 E546 | I508-R544 WeakPolarHBondContact O-CA 3.36Å; F509-R544 HydrophobicContact CD1-CB 3.59Å; F509-R544 HydrophobicContact CE1-CB 3.65Å; F509-R544 HydrophobicContact CE1-CG 4.43Å; F509-R544 HydrophobicContact CG-CB 4.36Å; F509-R544 HydrophobicContact CZ-CB 4.43Å; I536-R544 WeakPolarHBondContact CA-O 3.26Å; H537-R544 HydrophobicContact CB-CG 3.8Å; H537-R544 PolarHBondContact N-O 3.09Å; H537-R544 PolarHBondContact O-N 3.2Å; L539-R544 HydrophobicContact CD1-CB 4.41Å; L539-R544 HydrophobicContact CD1-CG 3.92Å; L539-R544 HydrophobicContact CG-CG 4.46Å; R544-E546 HydrophobicContact CG-CG 3.98Å; R544-E546 IonicContact CZ-OE1 3.16Å; R544-E546 IonicContact CZ-OE2 3.84Å; R544-E546 IonicContact NE-OE1 3.06Å; R544-E546 PolarHBondContact NE-OE1 2.79Å; R544-E546 VanDerWaalsContact NE-OE1 3.1Å; R544-E546 IonicContact NE-OE2 3.62Å; R544-E546 PolarHBondContact NE-OE2 3.09Å; R544-E546 IonicContact NH1-OE1 3.73Å; R544-E546 PolarHBondContact NH1-OE1 2.87Å; R544-E546 IonicContact NH2-OE1 3.54Å; R544-E546 PolarHBondContact NH2-OE1 2.91Å; R544-E546 IonicContact NH2-OE2 2.74Å; R544-E546 PolarHBondContact NH2-OE2 2.82Å |
| 545 | I | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.3 | 166.4 | -62 | 174.3 | 0 | 0 | 0 | 108.4 | I507 I508 F510 F534 S535 I536 I563 L579 | I507-I545 HydrophobicContact CD1-CG2 4.37Å; I507-I545 PolarHBondContact N-O 3.21Å; I508-I545 HydrophobicContact CG2-CB 4.06Å; I508-I545 HydrophobicContact CG2-CD1 4.03Å; I508-I545 HydrophobicContact CG2-CG1 4.3Å; I508-I545 PolarHBondContact O-N 3.31Å; F510-I545 HydrophobicContact CD1-CD1 4.46Å; F510-I545 HydrophobicContact CD1-CG1 4.39Å; F510-I545 HydrophobicContact CE1-CD1 4.17Å; F510-I545 HydrophobicContact CE1-CG1 3.95Å; F534-I545 HydrophobicContact CB-CG2 4.19Å; F534-I545 HydrophobicContact CD1-CG2 4.41Å; S535-I545 CarbonylContact O-C 3.53Å; S535-I545 WeakPolarHBondContact O-CA 3.34Å; I536-I545 HydrophobicContact CG1-CG1 3.98Å; I545-I563 HydrophobicContact CD1-CD1 3.81Å; I545-I563 HydrophobicContact CD1-CG1 4.07Å; I545-L579 HydrophobicContact CD1-CD2 3.7Å |
| 546 | E | 92.6 | Very high | 89 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.5 | 178.6 | -50.4 | -161.6 | 109.9 | 0 | 0 | 112.5 | T505 P506 F534 S535 H537 R544 Q548 | T505-E546 VanDerWaalsContact O-CA 3.26Å; T505-E546 WeakPolarHBondContact O-CA 3.48Å; P506-E546 HydrophobicContact CB-CG 4.34Å; F534-E546 WeakPolarHBondContact CA-O 3.38Å; S535-E546 PolarHBondContact N-O 3.19Å; S535-E546 PolarHBondContact O-N 3.06Å; S535-E546 PolarHBondContact OG-O 3.24Å; H537-E546 IonicContact CD2-OE2 2.66Å; H537-E546 PolarHBondContact CD2-OE2 3.15Å; H537-E546 IonicContact CG-OE2 3.67Å; H537-E546 IonicContact NE2-OE2 3.07Å; R544-E546 HydrophobicContact CG-CG 3.98Å; R544-E546 IonicContact CZ-OE1 3.16Å; R544-E546 IonicContact CZ-OE2 3.84Å; R544-E546 IonicContact NE-OE1 3.06Å; R544-E546 PolarHBondContact NE-OE1 2.79Å; R544-E546 VanDerWaalsContact NE-OE1 3.1Å; R544-E546 IonicContact NE-OE2 3.62Å; R544-E546 PolarHBondContact NE-OE2 3.09Å; R544-E546 IonicContact NH1-OE1 3.73Å; R544-E546 PolarHBondContact NH1-OE1 2.87Å; R544-E546 IonicContact NH2-OE1 3.54Å; R544-E546 PolarHBondContact NH2-OE1 2.91Å; R544-E546 IonicContact NH2-OE2 2.74Å; R544-E546 PolarHBondContact NH2-OE2 2.82Å; E546-Q548 PolarHBondContact O-N 3.05Å |
| 547 | T | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 123.4 | 170.4 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | I501 P502 H504 T505 I507 L551 | I501-T547 HydrophobicContact CD1-CG2 3.54Å; I501-T547 HydrophobicContact CG1-CG2 3.99Å; P502-T547 PolarHBondContact O-OG1 3.01Å; H504-T547 VanDerWaalsContact CA-O 3.29Å; H504-T547 WeakPolarHBondContact CA-O 3.33Å; H504-T547 PolarHBondContact N-O 2.96Å; H504-T547 PolarHBondContact N-OG1 2.94Å; H504-T547 VanDerWaalsContact N-OG1 3.09Å; T505-T547 PolarHBondContact N-OG1 3.48Å; T505-T547 PolarHBondContact O-N 2.05Å; T505-T547 VanDerWaalsContact O-N 3.13Å; I507-T547 HydrophobicContact CD1-CG2 3.8Å; I507-T547 HydrophobicContact CG1-CG2 4.32Å; T547-L551 HydrophobicContact CG2-CD1 3.9Å; T547-L551 HydrophobicContact CG2-CG 4.22Å |
| 548 | Q | 89.6 | Confident | 89 | Confident | 72 Ų | 72 | 69 Ų | 69 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -95.8 | -23.6 | 169.1 | -169.9 | 173.8 | -96.6 | 0 | 0 | 112.1 | K503 T531 D532 I533 E546 | K503-Q548 VanDerWaalsContact CD-O 3.29Å; K503-Q548 WeakPolarHBondContact CD-O 3.09Å; K503-Q548 WeakPolarHBondContact CE-O 3.38Å; K503-Q548 PolarHBondContact NZ-O 2.63Å; T531-Q548 PolarHBondContact O-NE2 3.07Å; D532-Q548 PolarHBondContact O-NE2 3.03Å; I533-Q548 WeakPolarHBondContact O-CA 3.36Å; I533-Q548 PolarHBondContact O-N 2.89Å; E546-Q548 PolarHBondContact O-N 3.05Å |
| 549 | S | 88.2 | Confident | 89.2 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -122.2 | 173.7 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | D532 I533 | D532-S549 PolarHBondContact O-OG 2.91Å; I533-S549 PolarHBondContact O-N 2.87Å |
| 550 | L | 88.4 | Confident | 89.7 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | trans | -73.5 | 156.2 | 164.1 | -61.7 | 175.8 | 0 | 0 | 0 | 108.9 | K503 | K503-L550 HydrophobicContact CB-CD2 4.39Š| ||
| 551 | L | 91.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | trans | -110.9 | 156.2 | 177.8 | -52.5 | 176.5 | 0 | 0 | 0 | 109.3 | I497 E499 I501 I533 F534 T547 Y559 L583 | I497-L551 HydrophobicContact CD1-CD1 3.76Å; E499-L551 HydrophobicContact CB-CB 4.24Å; I501-L551 HydrophobicContact CD1-CD1 3.96Å; I501-L551 HydrophobicContact CG1-CD1 4.13Å; I533-L551 HydrophobicContact CG2-CD2 3.43Å; I533-L551 VanDerWaalsContact CG2-CD2 3.43Å; F534-L551 HydrophobicContact CE1-CD1 4.39Å; F534-L551 HydrophobicContact CE1-CD2 4.14Å; F534-L551 HydrophobicContact CZ-CD2 3.92Å; T547-L551 HydrophobicContact CG2-CD1 3.9Å; T547-L551 HydrophobicContact CG2-CG 4.22Å; L551-Y559 HydrophobicContact CD2-CE2 4.11Å; L551-L583 HydrophobicContact CB-CD1 3.94Å; L551-L583 HydrophobicContact CB-CD2 4.45Å; L551-L583 HydrophobicContact CD1-CD2 3.89Å | ||
| 552 | D | 90.4 | Very high | 91.1 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | trans | -159 | 108.4 | -167.1 | 171.2 | -28.9 | 0 | 0 | 0 | 106.5 | E554 Y555 I556 | D552-E554 PolarHBondContact OD1-N 3.31Å; D552-Y555 WeakPolarHBondContact OD1-CB 3.4Å; D552-Y555 PolarHBondContact OD1-N 2.87Å; D552-I556 PolarHBondContact O-N 3.4Å | ||
| 553 | R | 92.7 | Very high | 91.5 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -30.1 | -173.2 | -172.4 | -158.7 | 63.7 | 57.5 | -4.5 | 111.8 | E499 Y555 I556 D557 L583 D585 S628 | E499-R553 WeakPolarHBondContact OE2-CB 3.32Å; E499-R553 PolarHBondContact OE2-N 3.05Å; R553-Y555 PolarHBondContact O-N 3.27Å; R553-I556 CarbonylContact O-C 3.51Å; R553-I556 PolarHBondContact O-N 3.01Å; R553-D557 HydrophobicContact CG-CB 3.98Å; R553-D557 PolarHBondContact O-N 3.2Å; R553-L583 HydrophobicContact CB-CB 4.01Å; R553-L583 HydrophobicContact CB-CD1 4.16Å; R553-L583 HydrophobicContact CG-CB 3.91Å; R553-D585 IonicContact CZ-OD1 2.72Å; R553-D585 IonicContact NE-OD1 3.5Å; R553-D585 PolarHBondContact NE-OD1 2.75Å; R553-D585 IonicContact NH2-OD1 2.6Å; R553-D585 PolarHBondContact NH2-OD1 2.86Å; R553-S628 PolarHBondContact NH2-O 2.68Å |
| 554 | E | 90.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.2 | 175.6 | -68.9 | 55.4 | -113.9 | 0 | 0 | 110.3 | D552 | D552-E554 PolarHBondContact OD1-N 3.31Š|
| 555 | Y | 89.4 | Confident | 91.7 | Very high | 188 Ų | 188 | 48.6 Ų | 48.6 | 74% | 0.737 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -50.3 | 171.7 | -166.8 | -113 | 0 | 0 | 0 | 113.3 | D552 R553 | D552-Y555 WeakPolarHBondContact OD1-CB 3.4Å; D552-Y555 PolarHBondContact OD1-N 2.87Å; R553-Y555 PolarHBondContact O-N 3.27Å |
| 556 | I | 90.5 | Very high | 91.7 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 28% | 0.277 | 25% | 0.245 | S | C | . | . | trans | -144.5 | 110.9 | 178.1 | -60.1 | 175 | 0 | 0 | 0 | 110.8 | D552 R553 Q558 Y559 L583 | D552-I556 PolarHBondContact O-N 3.4Å; R553-I556 CarbonylContact O-C 3.51Å; R553-I556 PolarHBondContact O-N 3.01Å; I556-Q558 WeakPolarHBondContact CG2-O 3.23Å; I556-Y559 HydrophobicContact CB-CE1 4.08Å; I556-Y559 HydrophobicContact CB-CE2 4.4Å; I556-Y559 HydrophobicContact CD1-CE1 3.76Å; I556-Y559 HydrophobicContact CG2-CD1 4Å; I556-Y559 HydrophobicContact CG2-CD2 4.41Å; I556-Y559 HydrophobicContact CG2-CE1 3.67Å; I556-Y559 HydrophobicContact CG2-CE2 4.14Å; I556-Y559 HydrophobicContact CG2-CG 4.36Å; I556-L583 WeakPolarHBondContact O-CD1 3.45Å | ||
| 557 | D | 91.1 | Very high | 91.7 | Very high | 103 Ų | 103 | 49.2 Ų | 49.2 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.7 | -27.1 | -179.6 | 64.7 | -22.6 | 0 | 0 | 0 | 114.6 | R553 L583 | R553-D557 HydrophobicContact CG-CB 3.98Å; R553-D557 PolarHBondContact O-N 3.2Å; D557-L583 PolarHBondContact O-N 2.79Å |
| 558 | Q | 93.1 | Very high | 91.5 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.3 | -177.1 | -172.1 | -174 | -55.7 | 0 | 0 | 113.1 | I556 I580 I581 H582 | I556-Q558 WeakPolarHBondContact CG2-O 3.23Å; Q558-I580 VanDerWaalsContact CD-CG2 3.48Å; Q558-I580 HydrophobicContact CG-CG2 3.56Å; Q558-I581 WeakPolarHBondContact CA-O 3.36Å; Q558-H582 PolarHBondContact OE1-CE1 2.99Å; Q558-H582 PolarHBondContact OE1-ND1 3.15Å |
| 559 | Y | 92.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.8 | 170.2 | -63.9 | -80 | 0 | 0 | 0 | 111.6 | I533 F534 L551 I556 I581 L583 | I533-Y559 HydrophobicContact CD1-CD1 4.29Å; I533-Y559 HydrophobicContact CD1-CE1 3.43Å; I533-Y559 VanDerWaalsContact CD1-CE1 3.43Å; F534-Y559 AromaticContact CE2-CD1 3.99Å; F534-Y559 HydrophobicContact CE2-CD1 3.99Å; F534-Y559 AromaticContact CE2-CD2 3.94Å; F534-Y559 HydrophobicContact CE2-CD2 3.94Å; F534-Y559 HydrophobicContact CE2-CE1 4.49Å; F534-Y559 HydrophobicContact CE2-CE2 4.43Å; F534-Y559 AromaticContact CE2-CG 3.68Å; F534-Y559 HydrophobicContact CE2-CG 3.68Å; F534-Y559 AromaticContact CZ-CD2 3.73Å; F534-Y559 HydrophobicContact CZ-CD2 3.73Å; F534-Y559 HydrophobicContact CZ-CE2 4.19Å; F534-Y559 AromaticContact CZ-CG 3.94Å; F534-Y559 HydrophobicContact CZ-CG 3.94Å; L551-Y559 HydrophobicContact CD2-CE2 4.11Å; I556-Y559 HydrophobicContact CB-CE1 4.08Å; I556-Y559 HydrophobicContact CB-CE2 4.4Å; I556-Y559 HydrophobicContact CD1-CE1 3.76Å; I556-Y559 HydrophobicContact CG2-CD1 4Å; I556-Y559 HydrophobicContact CG2-CD2 4.41Å; I556-Y559 HydrophobicContact CG2-CE1 3.67Å; I556-Y559 HydrophobicContact CG2-CE2 4.14Å; I556-Y559 HydrophobicContact CG2-CG 4.36Å; Y559-I581 PolarHBondContact N-O 3.37Å; Y559-I581 PolarHBondContact O-N 2.9Å; Y559-L583 HydrophobicContact CE2-CD1 4.11Å; Y559-L583 HydrophobicContact CE2-CG 4.43Å |
| 560 | T | 93 | Very high | 91.2 | Very high | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 106.5 | 167.7 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | N529 I580 | N529-T560 PolarHBondContact ND2-O 2.76Å; T560-I580 HydrophobicContact CG2-CG1 4.35Å |
| 561 | I | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.4 | 178.6 | -57.4 | -178.7 | 0 | 0 | 0 | 109.4 | L527 F534 L579 I581 | L527-I561 HydrophobicContact CD1-CG2 4.28Å; L527-I561 HydrophobicContact CD2-CG2 3.56Å; L527-I561 HydrophobicContact CG-CG2 4.39Å; F534-I561 HydrophobicContact CB-CD1 4.02Å; F534-I561 HydrophobicContact CD1-CD1 3.99Å; F534-I561 HydrophobicContact CD2-CD1 3.37Å; F534-I561 HydrophobicContact CD2-CG1 4.11Å; F534-I561 HydrophobicContact CE1-CD1 4.31Å; F534-I561 HydrophobicContact CE2-CD1 3.74Å; F534-I561 HydrophobicContact CE2-CG1 4.32Å; F534-I561 HydrophobicContact CG-CD1 3.51Å; F534-I561 HydrophobicContact CZ-CD1 4.19Å; I561-L579 HydrophobicContact CB-CB 4.48Å; I561-L579 PolarHBondContact N-O 2.91Å; I561-L579 PolarHBondContact O-N 3.23Å; I561-I581 HydrophobicContact CD1-CD1 3.49Å; I561-I581 VanDerWaalsContact CD1-CD1 3.49Å; I561-I581 HydrophobicContact CD1-CG1 4.22Å; I561-I581 HydrophobicContact CG1-CD1 4.41Å |
| 562 | I | 93 | Very high | 91 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 30% | 0.297 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.8 | 173.3 | -51.6 | 175.1 | 0 | 0 | 0 | 108.9 | L528 N529 T576 | L528-I562 HydrophobicContact CB-CB 4.33Å; L528-I562 HydrophobicContact CD1-CG2 3.94Å; L528-I562 PolarHBondContact N-O 3.05Å; N529-I562 PolarHBondContact OD1-N 2.88Å; I562-T576 HydrophobicContact CG2-CG2 4.38Å |
| 563 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.2 | 170.2 | -53.7 | 165.6 | 0 | 0 | 0 | 107.2 | I464 F466 F510 L527 I536 I545 T576 K577 | I464-I563 HydrophobicContact CD1-CB 4.38Å; I464-I563 HydrophobicContact CD1-CG2 3.97Å; F466-I563 HydrophobicContact CE1-CD1 4.32Å; F466-I563 HydrophobicContact CZ-CD1 3.85Å; F510-I563 HydrophobicContact CD1-CD1 4.26Å; F510-I563 HydrophobicContact CE1-CD1 4.1Å; F510-I563 HydrophobicContact CE2-CG2 4.11Å; F510-I563 HydrophobicContact CZ-CD1 4.36Å; F510-I563 HydrophobicContact CZ-CG2 3.81Å; L527-I563 HydrophobicContact CD2-CG1 4.06Å; I536-I563 HydrophobicContact CD1-CG2 4.18Å; I545-I563 HydrophobicContact CD1-CD1 3.81Å; I545-I563 HydrophobicContact CD1-CG1 4.07Å; I563-T576 VanDerWaalsContact O-CA 3.23Å; I563-T576 WeakPolarHBondContact O-CA 3.48Å; I563-K577 PolarHBondContact N-O 2.88Å; I563-K577 PolarHBondContact O-N 2.78Å |
| 564 | Q | 93.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.5 | 163 | -172.4 | -172.3 | 27.4 | 0 | 0 | 108.4 | C525 Q526 L528 N566 Y574 N575 T576 | C525-Q564 CarbonylContact C-O 3.49Å; C525-Q564 WeakPolarHBondContact CA-O 3.49Å; Q526-Q564 HydrophobicContact CG-CB 4.26Å; Q526-Q564 PolarHBondContact N-O 2.87Å; Q526-Q564 PolarHBondContact O-N 2.99Å; Q526-Q564 VanDerWaalsContact O-O 3.09Å; L528-Q564 HydrophobicContact CD1-CB 4.13Å; L528-Q564 HydrophobicContact CD2-CB 4.17Å; L528-Q564 HydrophobicContact CG-CB 3.98Å; Q564-N566 VanDerWaalsContact CD-OD1 3.27Å; Q564-N566 WeakPolarHBondContact CG-OD1 3.29Å; Q564-Y574 HydrophobicContact CG-CD2 4.09Å; Q564-N575 WeakPolarHBondContact CA-O 3.29Å; Q564-T576 HydrophobicContact CB-CG2 3.94Å; Q564-T576 HydrophobicContact CG-CG2 3.87Å |
| 565 | C | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.4 | 168.8 | -63 | 0 | 0 | 0 | 0 | 109 | P462 I464 V512 I523 C525 Y574 N575 | P462-C565 VanDerWaalsContact CG-O 3.29Å; P462-C565 WeakPolarHBondContact CG-O 3.48Å; I464-C565 HydrophobicContact CD1-CB 4.09Å; I464-C565 HydrophobicContact CG1-CB 4.13Å; V512-C565 HydrophobicContact CG1-CB 4.3Å; V512-C565 HydrophobicContact CG2-CB 4.35Å; I523-C565 HydrophobicContact CG2-CB 4.21Å; C525-C565 HydrophobicContact CB-CB 4.16Å; C525-C565 WeakPolarHBondContact CB-SG 3.32Å; C525-C565 WeakPolarHBondContact SG-CB 3.39Å; C525-C565 CovalentContact SG-SG 2.05Å; C525-C565 PolarHBondContact SG-SG 2.91Å; C565-Y574 CarbonylContact O-C 3.57Å; C565-Y574 VanDerWaalsContact O-CA 3.23Å; C565-Y574 WeakPolarHBondContact O-CA 3.33Å; C565-Y574 WeakPolarHBondContact O-CB 3.34Å; C565-N575 PolarHBondContact N-O 3.16Å; C565-N575 PolarHBondContact O-N 3.02Å |
| 566 | N | 92.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 155.4 | 177.2 | -60.7 | 27.9 | 0 | 0 | 0 | 109 | I523 S524 Q564 M572 L573 Y574 | I523-N566 CarbonylContact C-O 3.55Å; I523-N566 WeakPolarHBondContact CA-O 3.39Å; S524-N566 PolarHBondContact N-O 2.74Å; S524-N566 PolarHBondContact O-N 2.88Å; Q564-N566 VanDerWaalsContact CD-OD1 3.27Å; Q564-N566 WeakPolarHBondContact CG-OD1 3.29Å; N566-M572 HydrophobicContact CB-CG 4.29Å; N566-M572 HydrophobicContact CB-SD 4.09Å; N566-M572 VanDerWaalsContact ND2-CE 3.27Å; N566-M572 WeakPolarHBondContact ND2-CE 3.27Å; N566-M572 PolarHBondContact ND2-SD 3.05Å; N566-L573 WeakPolarHBondContact CA-O 3.43Å; N566-Y574 WeakPolarHBondContact OD1-CB 3.03Å |
| 567 | D | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -78.6 | -167.4 | 158.1 | 59.9 | 55 | 0 | 0 | 0 | 111.5 | N458 N520 R522 G569 M572 L573 | N458-D567 PolarHBondContact ND2-OD2 2.92Å; N520-D567 WeakPolarHBondContact O-CB 3.46Å; R522-D567 CarbonylContact O-C 3.58Å; D567-G569 PolarHBondContact OD1-N 2.85Å; D567-M572 WeakPolarHBondContact OD1-CA 3.4Å; D567-M572 WeakPolarHBondContact OD1-CG 3.23Å; D567-L573 PolarHBondContact N-O 2.88Å; D567-L573 PolarHBondContact OD1-N 2.87Å; D567-L573 WeakPolarHBondContact OD2-CA 3.32Å; D567-L573 WeakPolarHBondContact OD2-CB 3.35Å; D567-L573 PolarHBondContact OD2-N 2.83Å | ||
| 568 | M | 89.1 | Confident | 91.2 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -126.6 | 30.3 | 167.8 | -68.3 | -94.4 | 178.5 | 0 | 0 | 111.5 | Q519 R522 | Q519-M568 CarbonylContact O-C 3.58Å; Q519-M568 WeakPolarHBondContact O-CB 3.42Å; Q519-M568 PolarHBondContact O-N 2.8Å; R522-M568 HydrophobicContact CB-CB 4.22Å; R522-M568 HydrophobicContact CB-CG 4.34Å; R522-M568 HydrophobicContact CG-CG 4.36Å; R522-M568 WeakPolarHBondContact O-CG 3.2Å; R522-M568 PolarHBondContact O-N 2.92Å |
| 569 | G | 86 | Confident | 91.1 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -88.3 | -178 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N458 N520 D567 P571 M572 | N458-G569 WeakPolarHBondContact OD1-CA 3.23Å; N520-G569 VanDerWaalsContact OD1-CA 3.32Å; N520-G569 WeakPolarHBondContact OD1-CA 3.42Å; D567-G569 PolarHBondContact OD1-N 2.85Å; G569-P571 CarbonylContact O-C 3.53Å; G569-M572 WeakPolarHBondContact O-CA 3.42Å; G569-M572 PolarHBondContact O-N 2.86Å; G569-M572 VanDerWaalsContact O-N 3.11Å |
| 570 | E | 84.3 | Confident | 91 | Very high | 184 Ų | 184 | 49.9 Ų | 49.9 | 86% | 0.86 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -126.9 | 109.3 | 172.7 | -71.1 | -166.6 | 158.9 | 0 | 0 | 110.4 | ||
| 571 | P | 87.4 | Confident | 91 | Very high | 93 Ų | 93 | 47 Ų | 47 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | S | Bend | cis | -76 | 142.2 | -1 | 33.2 | -34.5 | 0 | 0 | 0 | 112.3 | N458 G569 L573 | N458-P571 PolarHBondContact ND2-O 2.83Å; G569-P571 CarbonylContact O-C 3.53Å; P571-L573 PolarHBondContact O-N 2.79Å |
| 572 | M | 89.5 | Confident | 91.1 | Very high | 101 Ų | 101 | 48.2 Ų | 48.2 | 50% | 0.498 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 118.6 | 177 | -178.9 | -163.2 | 69.9 | 0 | 0 | 111.2 | N566 D567 G569 | N566-M572 HydrophobicContact CB-CG 4.29Å; N566-M572 HydrophobicContact CB-SD 4.09Å; N566-M572 VanDerWaalsContact ND2-CE 3.27Å; N566-M572 WeakPolarHBondContact ND2-CE 3.27Å; N566-M572 PolarHBondContact ND2-SD 3.05Å; D567-M572 WeakPolarHBondContact OD1-CA 3.4Å; D567-M572 WeakPolarHBondContact OD1-CG 3.23Å; G569-M572 WeakPolarHBondContact O-CA 3.42Å; G569-M572 PolarHBondContact O-N 2.86Å; G569-M572 VanDerWaalsContact O-N 3.11Å |
| 573 | L | 91.2 | Very high | 91 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -96.8 | 165.5 | 173.5 | -54.6 | 172.5 | 0 | 0 | 0 | 110.1 | N458 N460 N566 D567 P571 | N458-L573 WeakPolarHBondContact ND2-CD1 3.43Å; N458-L573 WeakPolarHBondContact ND2-CG 3.23Å; N460-L573 VanDerWaalsContact O-CD1 3.27Å; N460-L573 WeakPolarHBondContact O-CD1 3.09Å; N566-L573 WeakPolarHBondContact CA-O 3.43Å; D567-L573 PolarHBondContact N-O 2.88Å; D567-L573 PolarHBondContact OD1-N 2.87Å; D567-L573 WeakPolarHBondContact OD2-CA 3.32Å; D567-L573 WeakPolarHBondContact OD2-CB 3.35Å; D567-L573 PolarHBondContact OD2-N 2.83Å; P571-L573 PolarHBondContact O-N 2.79Å |
| 574 | Y | 92.5 | Very high | 90.8 | Very high | 136 Ų | 136 | 49.1 Ų | 49.1 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 160 | 178.8 | 66.5 | -89.4 | 0 | 0 | 0 | 111.2 | Q564 C565 N566 T576 | Q564-Y574 HydrophobicContact CG-CD2 4.09Å; C565-Y574 CarbonylContact O-C 3.57Å; C565-Y574 VanDerWaalsContact O-CA 3.23Å; C565-Y574 WeakPolarHBondContact O-CA 3.33Å; C565-Y574 WeakPolarHBondContact O-CB 3.34Å; N566-Y574 WeakPolarHBondContact OD1-CB 3.03Å; Y574-T576 HydrophobicContact CD2-CG2 4.49Å |
| 575 | N | 91.8 | Very high | 90.6 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.6 | 176.8 | -164.2 | -0.7 | 0 | 0 | 0 | 110.1 | L461 P462 Q564 C565 | L461-N575 HydrophobicContact CD1-CB 3.92Å; L461-N575 WeakPolarHBondContact CD1-ND2 3.48Å; P462-N575 HydrophobicContact CG-CB 4.41Å; P462-N575 WeakPolarHBondContact O-CB 3.48Å; P462-N575 PolarHBondContact O-ND2 3.22Å; Q564-N575 WeakPolarHBondContact CA-O 3.29Å; C565-N575 PolarHBondContact N-O 3.16Å; C565-N575 PolarHBondContact O-N 3.02Å |
| 576 | T | 91.8 | Very high | 90.3 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | L528 I562 I563 Q564 Y574 | L528-T576 HydrophobicContact CD1-CG2 4.31Å; I562-T576 HydrophobicContact CG2-CG2 4.38Å; I563-T576 VanDerWaalsContact O-CA 3.23Å; I563-T576 WeakPolarHBondContact O-CA 3.48Å; Q564-T576 HydrophobicContact CB-CG2 3.94Å; Q564-T576 HydrophobicContact CG-CG2 3.87Å; Y574-T576 HydrophobicContact CD2-CG2 4.49Å |
| 577 | K | 89.6 | Confident | 90 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.3 | 178.5 | -173.1 | 96.1 | 173.2 | -152.9 | 0 | 108.8 | I464 F466 D469 I563 | I464-K577 HydrophobicContact CB-CB 4.06Å; I464-K577 HydrophobicContact CD1-CB 3.9Å; I464-K577 HydrophobicContact CG2-CB 3.93Å; I464-K577 HydrophobicContact CG2-CG 4.19Å; F466-K577 HydrophobicContact CE2-CD 4.31Å; F466-K577 HydrophobicContact CE2-CG 3.67Å; F466-K577 HydrophobicContact CZ-CG 4.36Å; D469-K577 IonicContact OD1-NZ 2.99Å; D469-K577 PolarHBondContact OD1-NZ 3.04Å; D469-K577 IonicContact OD2-NZ 2.74Å; D469-K577 PolarHBondContact OD2-NZ 3.16Å; I563-K577 PolarHBondContact N-O 2.88Å; I563-K577 PolarHBondContact O-N 2.78Å |
| 578 | S | 90.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | Y493 | Y493-S578 PolarHBondContact N-O 3.24Å |
| 579 | L | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.8 | 171.8 | 176.5 | 67.2 | 0 | 0 | 0 | 108.6 | F466 Y493 I495 I508 I545 I561 I581 | F466-L579 HydrophobicContact CZ-CB 4.47Å; F466-L579 HydrophobicContact CZ-CD1 4.21Å; Y493-L579 HydrophobicContact CD1-CD1 3.79Å; Y493-L579 CarbonylContact O-C 3.27Å; Y493-L579 WeakPolarHBondContact O-CA 3.41Å; I495-L579 HydrophobicContact CD1-CD1 4.03Å; I495-L579 HydrophobicContact CD1-CD2 4.24Å; I495-L579 HydrophobicContact CD1-CG 4.45Å; I495-L579 HydrophobicContact CG1-CD1 4.03Å; I495-L579 HydrophobicContact CG2-CD1 4.39Å; I508-L579 HydrophobicContact CD1-CD1 4.29Å; I508-L579 HydrophobicContact CG2-CD2 3.79Å; I545-L579 HydrophobicContact CD1-CD2 3.7Å; I561-L579 HydrophobicContact CB-CB 4.48Å; I561-L579 PolarHBondContact N-O 2.91Å; I561-L579 PolarHBondContact O-N 3.23Å; L579-I581 HydrophobicContact CD2-CD1 4.04Å; L579-I581 HydrophobicContact CD2-CG1 4.07Å; L579-I581 HydrophobicContact CG-CG1 3.99Å |
| 580 | I | 92.2 | Very high | 89.5 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.1 | 170.8 | -57.5 | 176.2 | 0 | 0 | 0 | 108 | S492 Y493 E494 I495 Q558 T560 H582 | S492-I580 WeakPolarHBondContact OG-CD1 3.43Å; Y493-I580 PolarHBondContact O-N 3.41Å; E494-I580 WeakPolarHBondContact CA-O 3.34Å; E494-I580 HydrophobicContact CG-CB 4.24Å; E494-I580 HydrophobicContact CG-CD1 4.41Å; I495-I580 PolarHBondContact N-O 3.11Å; Q558-I580 VanDerWaalsContact CD-CG2 3.48Å; Q558-I580 HydrophobicContact CG-CG2 3.56Å; T560-I580 HydrophobicContact CG2-CG1 4.35Å; I580-H582 WeakPolarHBondContact CG2-NE2 3.42Å |
| 581 | I | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.5 | 175.5 | -53.2 | -167.8 | 0 | 0 | 0 | 107.6 | I495 I497 I507 F534 Q558 Y559 I561 L579 L583 | I495-I581 HydrophobicContact CD1-CD1 4.17Å; I495-I581 HydrophobicContact CD1-CG1 3.96Å; I495-I581 HydrophobicContact CG1-CB 4.33Å; I495-I581 HydrophobicContact CG1-CG1 3.92Å; I495-I581 HydrophobicContact CG1-CG2 4.36Å; I497-I581 HydrophobicContact CD1-CG2 3.37Å; I497-I581 HydrophobicContact CG1-CG2 3.62Å; I507-I581 HydrophobicContact CD1-CD1 4.49Å; I507-I581 HydrophobicContact CG2-CD1 4.15Å; F534-I581 HydrophobicContact CD1-CD1 4.42Å; F534-I581 HydrophobicContact CE1-CD1 3.95Å; F534-I581 HydrophobicContact CZ-CD1 4.19Å; Q558-I581 WeakPolarHBondContact CA-O 3.36Å; Y559-I581 PolarHBondContact N-O 3.37Å; Y559-I581 PolarHBondContact O-N 2.9Å; I561-I581 HydrophobicContact CD1-CD1 3.49Å; I561-I581 VanDerWaalsContact CD1-CD1 3.49Å; I561-I581 HydrophobicContact CD1-CG1 4.22Å; I561-I581 HydrophobicContact CG1-CD1 4.41Å; L579-I581 HydrophobicContact CD2-CD1 4.04Å; L579-I581 HydrophobicContact CD2-CG1 4.07Å; L579-I581 HydrophobicContact CG-CG1 3.99Å; I581-L583 HydrophobicContact CG2-CD2 4.34Å |
| 582 | H | 92.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.9 | 169.4 | -56.6 | -82.1 | 0 | 0 | 0 | 109.3 | I495 W496 I497 Q558 I580 | I495-H582 PolarHBondContact O-N 2.57Å; W496-H582 WeakPolarHBondContact CA-O 3.11Å; W496-H582 HydrophobicContact CD2-CB 3.58Å; W496-H582 AromaticContact CE2-CD2 3.57Å; W496-H582 AromaticContact CE2-CG 3.77Å; W496-H582 HydrophobicContact CE3-CB 3.47Å; W496-H582 VanDerWaalsContact CE3-CB 3.47Å; W496-H582 HydrophobicContact CG-CB 4.22Å; W496-H582 HydrophobicContact CH2-CB 3.92Å; W496-H582 AromaticContact CH2-CG 3.9Å; W496-H582 HydrophobicContact CZ2-CB 4.02Å; W496-H582 AromaticContact CZ2-CD2 3.72Å; W496-H582 AromaticContact CZ2-CG 3.69Å; W496-H582 HydrophobicContact CZ3-CB 3.65Å; W496-H582 AromaticContact NE1-CD2 3.66Å; I497-H582 PolarHBondContact N-O 2.84Å; Q558-H582 PolarHBondContact OE1-CE1 2.99Å; Q558-H582 PolarHBondContact OE1-ND1 3.15Å; I580-H582 WeakPolarHBondContact CG2-NE2 3.42Å |
| 583 | L | 92.4 | Very high | 90 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122 | 171.1 | -59.2 | -165.3 | 0 | 0 | 0 | 110 | I497 E499 L551 R553 I556 D557 Y559 I581 | I497-L583 HydrophobicContact CD1-CD2 4.06Å; I497-L583 HydrophobicContact CG1-CD2 3.72Å; I497-L583 CarbonylContact O-C 3.55Å; I497-L583 WeakPolarHBondContact O-CA 3.09Å; E499-L583 HydrophobicContact CB-CD1 4.02Å; L551-L583 HydrophobicContact CB-CD1 3.94Å; L551-L583 HydrophobicContact CB-CD2 4.45Å; L551-L583 HydrophobicContact CD1-CD2 3.89Å; R553-L583 HydrophobicContact CB-CB 4.01Å; R553-L583 HydrophobicContact CB-CD1 4.16Å; R553-L583 HydrophobicContact CG-CB 3.91Å; I556-L583 WeakPolarHBondContact O-CD1 3.45Å; D557-L583 PolarHBondContact O-N 2.79Å; Y559-L583 HydrophobicContact CE2-CD1 4.11Å; Y559-L583 HydrophobicContact CE2-CG 4.43Å; I581-L583 HydrophobicContact CG2-CD2 4.34Å |
| 584 | I | 89.7 | Confident | 89.8 | Confident | 69 Ų | 69 | 43 Ų | 43 | 35% | 0.354 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.7 | 166.3 | -54.2 | 171.1 | 0 | 0 | 0 | 106.9 | W496 I497 K498 | W496-I584 HydrophobicContact CB-CD1 3.87Å; W496-I584 HydrophobicContact CB-CG1 3.88Å; W496-I584 HydrophobicContact CE3-CG1 4.12Å; I497-I584 PolarHBondContact O-N 3.42Å; K498-I584 HydrophobicContact CG-CB 4.28Å |
| 585 | D | 88.9 | Confident | 89.7 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | trans | -45.7 | 133.6 | 171 | -170.2 | 91.4 | 0 | 0 | 0 | 113.2 | E499 R553 L630 | E499-D585 VanDerWaalsContact OE1-CA 3.27Å; E499-D585 WeakPolarHBondContact OE1-CA 3.27Å; R553-D585 IonicContact CZ-OD1 2.72Å; R553-D585 IonicContact NE-OD1 3.5Å; R553-D585 PolarHBondContact NE-OD1 2.75Å; R553-D585 IonicContact NH2-OD1 2.6Å; R553-D585 PolarHBondContact NH2-OD1 2.86Å; D585-L630 HydrophobicContact CB-CB 3.99Å; D585-L630 HydrophobicContact CB-CD1 4.38Å; D585-L630 VanDerWaalsContact CG-N 3.29Å; D585-L630 WeakPolarHBondContact OD1-CB 3.35Å; D585-L630 PolarHBondContact OD1-N 2.81Å; D585-L630 PolarHBondContact OD2-N 2.75Å | ||
| 586 | V | 86.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | trans | -128.5 | 118.9 | 166.2 | -179 | 0 | 0 | 0 | 0 | 107.9 | K498 E499 N500 D588 | K498-V586 HydrophobicContact CB-CG2 3.81Å; K498-V586 HydrophobicContact CD-CG2 3.73Å; K498-V586 HydrophobicContact CG-CG2 3.86Å; E499-V586 HydrophobicContact CG-CB 4.27Å; E499-V586 HydrophobicContact CG-CG2 4.36Å; E499-V586 PolarHBondContact OE1-N 3.32Å; N500-V586 HydrophobicContact CB-CB 4.5Å; N500-V586 HydrophobicContact CB-CG1 4.42Å; N500-V586 HydrophobicContact CB-CG2 4.47Å; V586-D588 WeakPolarHBondContact O-CB 3.42Å; V586-D588 PolarHBondContact O-N 3.01Å | ||
| 587 | N | 86.4 | Confident | 89.5 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | trans | -46.9 | 110.5 | 169.2 | 178 | -33.8 | 0 | 0 | 0 | 111 | D629 N632 D697 L699 H700 | N587-D629 VanDerWaalsContact CA-OD2 3.24Å; N587-D629 WeakPolarHBondContact CA-OD2 2.93Å; N587-N632 PolarHBondContact ND2-ND2 2.84Å; N587-N632 PolarHBondContact ND2-OD1 2.72Å; N587-D697 PolarHBondContact ND2-O 2.79Å; N587-D697 PolarHBondContact ND2-OD1 3Å; N587-D697 PolarHBondContact OD1-OD1 3.47Å; N587-L699 HydrophobicContact CB-CD2 4.44Å; N587-L699 VanDerWaalsContact O-CD2 3.32Å; N587-L699 WeakPolarHBondContact O-CD2 3.48Å; N587-H700 PolarHBondContact OD1-CE1 2.71Å; N587-H700 PolarHBondContact OD1-ND1 2.78Å | ||
| 588 | D | 85.6 | Confident | 89.7 | Confident | 93 Ų | 93 | 43 Ų | 43 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | trans | -151.2 | -32.9 | -163 | 172.9 | -68 | 0 | 0 | 0 | 110.2 | V586 P590 D629 | V586-D588 WeakPolarHBondContact O-CB 3.42Å; V586-D588 PolarHBondContact O-N 3.01Å; D588-P590 VanDerWaalsContact O-CD 3.3Å; D588-P590 WeakPolarHBondContact O-CD 3.45Å; D588-D629 PolarHBondContact N-OD2 3.21Å | ||
| 589 | S | 86.2 | Confident | 89.9 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -85 | 112.1 | 173.5 | -59 | 0 | 0 | 0 | 0 | 112.2 | D629 | S589-D629 WeakPolarHBondContact CB-OD1 3.42Å; S589-D629 PolarHBondContact N-OD2 2.75Å; S589-D629 PolarHBondContact OG-OD1 3.27Å |
| 590 | P | 86.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 42.3 Ų | 42.3 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 134 | 176.8 | 28 | -35.2 | 0 | 0 | 0 | 112.2 | D588 S592 H700 T702 | D588-P590 VanDerWaalsContact O-CD 3.3Å; D588-P590 WeakPolarHBondContact O-CD 3.45Å; P590-S592 PolarHBondContact O-N 3.35Å; P590-H700 HydrophobicContact CB-CB 3.83Å; P590-T702 HydrophobicContact CB-CG2 3.77Å |
| 591 | P | 90.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 127.6 | -172.1 | -32 | 33.9 | 0 | 0 | 0 | 113.9 | L634 V695 D697 T702 | P591-L634 HydrophobicContact CB-CD2 4.09Å; P591-L634 HydrophobicContact CG-CD2 3.66Å; P591-V695 HydrophobicContact CB-CB 4.4Å; P591-V695 HydrophobicContact CB-CG1 3.8Å; P591-V695 HydrophobicContact CG-CG1 4.14Å; P591-D697 WeakPolarHBondContact CD-OD2 3.21Å; P591-D697 HydrophobicContact CG-CB 3.86Å; P591-D697 WeakPolarHBondContact CG-OD2 3.46Å; P591-T702 VanDerWaalsContact O-CB 3.25Å; P591-T702 WeakPolarHBondContact O-CB 3.35Å; P591-T702 WeakPolarHBondContact O-CG2 3.34Å; P591-T702 PolarHBondContact O-OG1 3.32Å |
| 592 | S | 89.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -100.7 | 139.7 | -171.3 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | P590 A625 T626 | P590-S592 PolarHBondContact O-N 3.35Å; S592-A625 CarbonylContact O-C 3.56Å; S592-A625 WeakPolarHBondContact O-CA 3.37Å; S592-A625 WeakPolarHBondContact O-CB 3.2Å; S592-T626 PolarHBondContact N-O 2.8Å; S592-T626 PolarHBondContact O-N 3.21Å; S592-T626 PolarHBondContact O-OG1 3.25Å; S592-T626 PolarHBondContact OG-O 3.21Å; S592-T626 PolarHBondContact OG-OG1 3.38Å |
| 593 | F | 91 | Very high | 90.4 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 132 | 170.8 | -66 | -88.7 | 0 | 0 | 0 | 109.9 | L595 Y598 I623 A625 V693 V695 I704 | F593-L595 PolarHBondContact O-N 3.25Å; F593-Y598 HydrophobicContact CB-CE2 4.43Å; F593-Y598 HydrophobicContact CD1-CE2 4.04Å; F593-I623 HydrophobicContact CD1-CG2 3.98Å; F593-I623 HydrophobicContact CE1-CG2 3.68Å; F593-A625 HydrophobicContact CD1-CB 4.06Å; F593-A625 HydrophobicContact CE1-CB 3.95Å; F593-A625 HydrophobicContact CZ-CB 4.3Å; F593-V693 HydrophobicContact CE1-CG1 4.48Å; F593-V695 HydrophobicContact CE1-CG2 4.03Å; F593-V695 HydrophobicContact CZ-CB 4.06Å; F593-V695 HydrophobicContact CZ-CG2 3.66Å; F593-I704 HydrophobicContact CB-CB 4.38Å; F593-I704 HydrophobicContact CB-CD1 4.33Å; F593-I704 HydrophobicContact CB-CG1 4.17Å; F593-I704 HydrophobicContact CD1-CB 4.06Å; F593-I704 HydrophobicContact CD1-CG2 3.73Å; F593-I704 HydrophobicContact CD2-CB 3.74Å; F593-I704 HydrophobicContact CD2-CG1 4.39Å; F593-I704 HydrophobicContact CD2-CG2 4.25Å; F593-I704 HydrophobicContact CE1-CB 4.22Å; F593-I704 HydrophobicContact CE1-CG2 3.63Å; F593-I704 HydrophobicContact CE2-CB 3.92Å; F593-I704 HydrophobicContact CE2-CG2 4.16Å; F593-I704 HydrophobicContact CG-CB 3.8Å; F593-I704 HydrophobicContact CG-CG1 4.14Å; F593-I704 HydrophobicContact CG-CG2 4.03Å; F593-I704 HydrophobicContact CZ-CB 4.14Å; F593-I704 HydrophobicContact CZ-CG2 3.85Å |
| 594 | P | 88.6 | Confident | 90.3 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -71.5 | -10.8 | 179.7 | 28.9 | -36.3 | 0 | 0 | 0 | 114 | Y598 I624 | P594-Y598 WeakPolarHBondContact CD-OH 3.32Å; P594-I624 WeakPolarHBondContact CD-O 3.43Å |
| 595 | L | 90 | Very high | 90.3 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -126.5 | 138.5 | 178.8 | -60.7 | 179.7 | 0 | 0 | 0 | 110.8 | F593 M597 Y598 Y619 I704 | F593-L595 PolarHBondContact O-N 3.25Å; L595-M597 PolarHBondContact O-N 3.43Å; L595-Y598 HydrophobicContact CB-CE1 4.46Å; L595-Y598 HydrophobicContact CB-CE2 4.12Å; L595-Y598 HydrophobicContact CD1-CD1 4.11Å; L595-Y598 HydrophobicContact CD1-CE1 3.86Å; L595-Y598 HydrophobicContact CG-CE1 4.47Å; L595-Y619 HydrophobicContact CD1-CD1 3.81Å; L595-Y619 HydrophobicContact CD1-CE1 4.35Å; L595-I704 WeakPolarHBondContact O-CD1 3.34Å; L595-I704 WeakPolarHBondContact O-CG1 3.35Å |
| 596 | N | 87.5 | Confident | 90.3 | Very high | 157 Ų | 157 | 46.6 Ų | 46.6 | 84% | 0.84 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -69.4 | -13.2 | 179.5 | -67.1 | -10.4 | 0 | 0 | 0 | 114.2 | I704 | N596-I704 WeakPolarHBondContact O-CD1 3.01Š|
| 597 | M | 91.4 | Very high | 90.5 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 158.2 | 174.1 | 55.3 | 177.4 | -78.1 | 0 | 0 | 108.8 | L595 H599 Y619 K705 L707 | L595-M597 PolarHBondContact O-N 3.43Å; M597-H599 HydrophobicContact CE-CB 4.31Å; M597-Y619 WeakPolarHBondContact O-CE1 3.03Å; M597-K705 VanDerWaalsContact CA-O 3.3Å; M597-K705 WeakPolarHBondContact CA-O 3.44Å; M597-L707 HydrophobicContact CE-CD1 3.76Å; M597-L707 HydrophobicContact CE-CG 4.37Å |
| 598 | Y | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.8 | 169.9 | -64.5 | -105.4 | 0 | 0 | 0 | 109.9 | F593 P594 L595 Y600 P620 I623 I624 I704 K705 V706 L707 | F593-Y598 HydrophobicContact CB-CE2 4.43Å; F593-Y598 HydrophobicContact CD1-CE2 4.04Å; P594-Y598 WeakPolarHBondContact CD-OH 3.32Å; L595-Y598 HydrophobicContact CB-CE1 4.46Å; L595-Y598 HydrophobicContact CB-CE2 4.12Å; L595-Y598 HydrophobicContact CD1-CD1 4.11Å; L595-Y598 HydrophobicContact CD1-CE1 3.86Å; L595-Y598 HydrophobicContact CG-CE1 4.47Å; Y598-Y600 HydrophobicContact CD1-CE2 4.43Å; Y598-Y600 WeakPolarHBondContact CD1-OH 3.4Å; Y598-Y600 HydrophobicContact CG-CE2 4.4Å; Y598-P620 HydrophobicContact CD1-CG 4.3Å; Y598-P620 HydrophobicContact CE1-CG 3.78Å; Y598-I623 HydrophobicContact CD1-CG1 3.83Å; Y598-I623 HydrophobicContact CD2-CG1 4.39Å; Y598-I623 HydrophobicContact CD2-CG2 4.44Å; Y598-I623 HydrophobicContact CE1-CB 4.43Å; Y598-I623 HydrophobicContact CE1-CG1 4.09Å; Y598-I623 HydrophobicContact CE1-CG2 4.25Å; Y598-I623 HydrophobicContact CE2-CG2 4.02Å; Y598-I623 HydrophobicContact CG-CD1 4.32Å; Y598-I623 HydrophobicContact CG-CG1 3.99Å; Y598-I624 PolarHBondContact OH-O 2.7Å; Y598-I704 HydrophobicContact CD2-CG1 4.08Å; Y598-I704 HydrophobicContact CD2-CG2 3.85Å; Y598-I704 HydrophobicContact CE2-CG1 4.01Å; Y598-I704 HydrophobicContact CE2-CG2 3.89Å; Y598-K705 PolarHBondContact N-O 3.43Å; Y598-V706 WeakPolarHBondContact O-CA 3.23Å; Y598-L707 PolarHBondContact O-N 2.87Å |
| 599 | H | 94.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 50 Ų | 50 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 114.6 | -175.3 | -163.4 | 175.4 | 0 | 0 | 0 | 110.5 | M597 I615 Y619 L707 D709 | M597-H599 HydrophobicContact CE-CB 4.31Å; H599-I615 HydrophobicContact CB-CG2 3.92Å; H599-I615 WeakPolarHBondContact O-CG2 3.46Å; H599-I615 PolarHBondContact O-N 3.14Å; H599-Y619 HydrophobicContact CB-CD2 4.14Å; H599-Y619 HydrophobicContact CB-CE1 4.16Å; H599-Y619 HydrophobicContact CB-CE2 3.6Å; H599-L707 WeakPolarHBondContact CA-O 3.31Å; H599-D709 IonicContact CD2-OD2 2.01Å; H599-D709 IonicContact CE1-OD2 3.68Å; H599-D709 PolarHBondContact CE1-OD2 3.02Å; H599-D709 IonicContact NE2-OD2 3.24Å; H599-D709 PolarHBondContact NE2-OD2 2.61Å |
| 600 | Y | 96.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 168.9 | -177.7 | -61.6 | -80.2 | 0 | 0 | 0 | 111.2 | Y598 V612 Q613 P614 P620 I623 V706 L707 I708 D709 | Y598-Y600 HydrophobicContact CD1-CE2 4.43Å; Y598-Y600 WeakPolarHBondContact CD1-OH 3.4Å; Y598-Y600 HydrophobicContact CG-CE2 4.4Å; Y600-V612 HydrophobicContact CD1-CG2 3.91Å; Y600-V612 HydrophobicContact CD2-CG2 4.3Å; Y600-V612 HydrophobicContact CG-CG2 3.77Å; Y600-Q613 CarbonylContact C-O 3.39Å; Y600-Q613 VanDerWaalsContact CA-O 3.24Å; Y600-Q613 WeakPolarHBondContact CA-O 3.07Å; Y600-Q613 WeakPolarHBondContact CB-O 3.04Å; Y600-P614 HydrophobicContact CD1-CB 4.21Å; Y600-P614 HydrophobicContact CE1-CB 4.13Å; Y600-P620 VanDerWaalsContact CE1-O 3.23Å; Y600-P620 WeakPolarHBondContact CE1-O 3.38Å; Y600-P620 PolarHBondContact OH-O 2.91Å; Y600-I623 HydrophobicContact CE2-CD1 4.09Å; Y600-I623 HydrophobicContact CE2-CG1 4.09Å; Y600-I623 WeakPolarHBondContact OH-CG1 3.12Å; Y600-V706 HydrophobicContact CD2-CG1 3.89Å; Y600-V706 HydrophobicContact CE2-CG1 4.29Å; Y600-L707 PolarHBondContact N-O 3.47Å; Y600-I708 WeakPolarHBondContact O-CA 3.19Å; Y600-D709 PolarHBondContact O-N 3.06Å |
| 601 | H | 95.3 | Very high | 91.7 | Very high | 54 Ų | 54 | 50 Ų | 50 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154.1 | 171.6 | 66.4 | -41.7 | 0 | 0 | 0 | 110.3 | Q613 P614 D709 D711 | H601-Q613 PolarHBondContact N-O 3.27Å; H601-Q613 PolarHBondContact ND1-O 2.8Å; H601-Q613 PolarHBondContact O-N 3.04Å; H601-P614 PolarHBondContact CE1-O 2.8Å; H601-D709 VanDerWaalsContact CA-O 3.28Å; H601-D709 WeakPolarHBondContact CA-O 3.1Å; H601-D711 WeakPolarHBondContact CB-OD2 3.13Å; H601-D711 IonicContact CD2-OD1 3.75Å; H601-D711 IonicContact CD2-OD2 3.52Å; H601-D711 PolarHBondContact CD2-OD2 2.95Å; H601-D711 IonicContact CG-OD2 3.91Å |
| 602 | V | 94.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 140.7 | 177.1 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | S606 T610 V612 F666 T677 L681 I708 D709 L710 D711 | V602-S606 WeakPolarHBondContact CG2-OG 3.41Å; V602-T610 HydrophobicContact CG2-CG2 4.48Å; V602-V612 HydrophobicContact CB-CG1 4.29Å; V602-V612 HydrophobicContact CG1-CG1 4.44Å; V602-F666 HydrophobicContact CG1-CE1 4.37Å; V602-T677 HydrophobicContact CG2-CG2 3.92Å; V602-L681 HydrophobicContact CG1-CD1 3.81Å; V602-I708 HydrophobicContact CG1-CG2 3.78Å; V602-D709 PolarHBondContact N-O 3.24Å; V602-L710 HydrophobicContact CG1-CD2 3.68Å; V602-L710 WeakPolarHBondContact O-CA 3.39Å; V602-D711 PolarHBondContact N-OD2 2.89Å; V602-D711 PolarHBondContact O-N 2.74Å |
| 603 | L | 92.7 | Very high | 92 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 135.7 | 173.5 | -72.6 | 165.9 | 0 | 0 | 0 | 110.9 | N605 S606 D711 I713 | L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.39Å; L603-S606 WeakPolarHBondContact O-CB 3.38Å; L603-S606 PolarHBondContact O-N 2.76Å; L603-S606 PolarHBondContact O-OG 2.91Å; L603-D711 HydrophobicContact CD2-CB 3.78Å; L603-D711 HydrophobicContact CG-CB 4.31Å; L603-I713 HydrophobicContact CB-CD1 4.19Å; L603-I713 HydrophobicContact CD2-CD1 3.98Å; L603-I713 HydrophobicContact CD2-CG1 4.09Å |
| 604 | E | 91.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.6 | -177.3 | 65.1 | -165.3 | 123.6 | 0 | 0 | 114.5 | S606 L681 R683 D711 D712 I713 | E604-S606 PolarHBondContact O-N 2.84Å; E604-S606 VanDerWaalsContact O-N 3.15Å; E604-L681 HydrophobicContact CB-CB 4.44Å; E604-L681 WeakPolarHBondContact O-CB 3.44Å; E604-R683 WeakPolarHBondContact OE2-CB 3.42Å; E604-R683 PolarHBondContact OE2-N 3.35Å; E604-D711 PolarHBondContact N-O 3.41Å; E604-D712 WeakPolarHBondContact OE1-CA 3.24Å; E604-I713 HydrophobicContact CG-CB 4.25Å; E604-I713 HydrophobicContact CG-CD1 4.28Å; E604-I713 HydrophobicContact CG-CG1 4.22Å; E604-I713 PolarHBondContact OE1-N 2.76Å |
| 605 | N | 88.6 | Confident | 92.3 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 9.3 | 173.6 | 78.2 | -2.7 | 0 | 0 | 0 | 114.4 | L603 S607 I713 | L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.39Å; N605-S607 PolarHBondContact O-N 2.8Å; N605-S607 VanDerWaalsContact O-N 3.12Å; N605-I713 HydrophobicContact CB-CD1 3.78Å; N605-I713 VanDerWaalsContact ND2-CD1 3.35Å; N605-I713 WeakPolarHBondContact ND2-CD1 3.24Å; N605-I713 VanDerWaalsContact OD1-CD1 3.3Å; N605-I713 WeakPolarHBondContact OD1-CD1 3.47Å |
| 606 | S | 89.6 | Confident | 92.3 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | trans | -65.6 | 109.9 | -176.9 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | V602 L603 E604 | V602-S606 WeakPolarHBondContact CG2-OG 3.41Å; L603-S606 WeakPolarHBondContact O-CB 3.38Å; L603-S606 PolarHBondContact O-N 2.76Å; L603-S606 PolarHBondContact O-OG 2.91Å; E604-S606 PolarHBondContact O-N 2.84Å; E604-S606 VanDerWaalsContact O-N 3.15Å | ||
| 607 | S | 90.5 | Very high | 92.1 | Very high | 85 Ų | 85 | 50 Ų | 50 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | trans | -50.9 | 143.7 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | N605 G609 T610 T677 | N605-S607 PolarHBondContact O-N 2.8Å; N605-S607 VanDerWaalsContact O-N 3.12Å; S607-G609 PolarHBondContact O-N 2.75Å; S607-T610 WeakPolarHBondContact O-CB 3.48Å; S607-T610 PolarHBondContact O-N 3.47Å; S607-T610 PolarHBondContact O-OG1 3.35Å; S607-T677 PolarHBondContact O-OG1 2.9Å | ||
| 608 | P | 90.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 136 | 174.8 | -30.5 | 36.7 | 0 | 0 | 0 | 112.9 | T677 | P608-T677 WeakPolarHBondContact CA-OG1 3.19Š|
| 609 | G | 91.3 | Very high | 91.7 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 5.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | S607 T677 | S607-G609 PolarHBondContact O-N 2.75Å; G609-T677 PolarHBondContact N-O 2.78Å; G609-T677 PolarHBondContact N-OG1 3.2Å |
| 610 | T | 94.1 | Very high | 91.5 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 125.2 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | V602 S607 F676 T677 | V602-T610 HydrophobicContact CG2-CG2 4.48Å; S607-T610 WeakPolarHBondContact O-CB 3.48Å; S607-T610 PolarHBondContact O-N 3.47Å; S607-T610 PolarHBondContact O-OG1 3.35Å; T610-F676 CarbonylContact O-C 3.32Å; T610-F676 VanDerWaalsContact O-CA 3.28Å; T610-F676 WeakPolarHBondContact O-CA 3.44Å; T610-T677 PolarHBondContact N-OG1 3.14Å; T610-T677 PolarHBondContact O-N 2.94Å |
| 611 | P | 93.9 | Very high | 91.2 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 130 | 178.3 | 28.9 | -33.2 | 0 | 0 | 0 | 111.5 | Q613 Q674 F676 | P611-Q613 PolarHBondContact O-NE2 3.39Å; P611-Q674 HydrophobicContact CB-CG 4.44Å; P611-F676 HydrophobicContact CB-CD1 3.87Å; P611-F676 HydrophobicContact CB-CE1 3.85Å; P611-F676 HydrophobicContact CG-CE1 4.49Å |
| 612 | V | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 148.5 | -179.7 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | Y600 V602 F666 I675 I708 | Y600-V612 HydrophobicContact CD1-CG2 3.91Å; Y600-V612 HydrophobicContact CD2-CG2 4.3Å; Y600-V612 HydrophobicContact CG-CG2 3.77Å; V602-V612 HydrophobicContact CB-CG1 4.29Å; V602-V612 HydrophobicContact CG1-CG1 4.44Å; V612-F666 HydrophobicContact CG1-CD1 4.13Å; V612-F666 HydrophobicContact CG1-CE1 3.9Å; V612-I675 HydrophobicContact CG1-CG2 4Å; V612-I675 HydrophobicContact CG2-CB 3.74Å; V612-I675 HydrophobicContact CG2-CG2 3.98Å; V612-I675 PolarHBondContact N-O 2.74Å; V612-I675 VanDerWaalsContact N-O 3.17Å; V612-I708 HydrophobicContact CG1-CD1 4.11Å; V612-I708 HydrophobicContact CG2-CD1 4.39Å |
| 613 | Q | 92.9 | Very high | 90.8 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.4 | -171.7 | -61.5 | -55.5 | -55.2 | 0 | 0 | 111.7 | Y600 H601 P611 I615 | Y600-Q613 CarbonylContact C-O 3.39Å; Y600-Q613 VanDerWaalsContact CA-O 3.24Å; Y600-Q613 WeakPolarHBondContact CA-O 3.07Å; Y600-Q613 WeakPolarHBondContact CB-O 3.04Å; H601-Q613 PolarHBondContact N-O 3.27Å; H601-Q613 PolarHBondContact ND1-O 2.8Å; H601-Q613 PolarHBondContact O-N 3.04Å; P611-Q613 PolarHBondContact O-NE2 3.39Å; Q613-I615 PolarHBondContact O-N 3.32Å |
| 614 | P | 93.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.2 | 179.9 | 27.4 | -33.5 | 0 | 0 | 0 | 110.8 | Y600 H601 S616 Y619 T621 | Y600-P614 HydrophobicContact CD1-CB 4.21Å; Y600-P614 HydrophobicContact CE1-CB 4.13Å; H601-P614 PolarHBondContact CE1-O 2.8Å; P614-S616 PolarHBondContact O-N 3.4Å; P614-Y619 VanDerWaalsContact CB-O 3.28Å; P614-Y619 WeakPolarHBondContact CB-O 3.37Å; P614-T621 HydrophobicContact CG-CG2 4.12Å |
| 615 | I | 91.5 | Very high | 90.5 | Very high | 74 Ų | 74 | 57.3 Ų | 57.3 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -70 | -12 | -178.2 | -157.6 | 171.5 | 0 | 0 | 0 | 113 | H599 Q613 Y619 | H599-I615 HydrophobicContact CB-CG2 3.92Å; H599-I615 WeakPolarHBondContact O-CG2 3.46Å; H599-I615 PolarHBondContact O-N 3.14Å; Q613-I615 PolarHBondContact O-N 3.32Å; I615-Y619 HydrophobicContact CG2-CD2 4.02Å; I615-Y619 HydrophobicContact CG2-CE2 3.95Å |
| 616 | S | 88.7 | Confident | 90.5 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -157.6 | 151.7 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | P614 T618 Y619 | P614-S616 PolarHBondContact O-N 3.4Å; S616-T618 WeakPolarHBondContact CB-OG1 3.24Å; S616-T618 PolarHBondContact O-N 2.92Å; S616-T618 PolarHBondContact OG-OG1 2.84Å; S616-Y619 PolarHBondContact O-N 3.1Å |
| 617 | T | 85.1 | Confident | 90.5 | Very high | 148 Ų | 148 | 57.3 Ų | 57.3 | 91% | 0.908 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.3 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | Y619 | T617-Y619 VanDerWaalsContact C-N 3.35Š|
| 618 | T | 85.9 | Confident | 90.3 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -16.9 | 169.1 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | S616 | S616-T618 WeakPolarHBondContact CB-OG1 3.24Å; S616-T618 PolarHBondContact O-N 2.92Å; S616-T618 PolarHBondContact OG-OG1 2.84Å |
| 619 | Y | 89.9 | Confident | 90.2 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -109.7 | 132.2 | 179.7 | -59.5 | -73.4 | 0 | 0 | 0 | 110.3 | L595 M597 H599 P614 I615 S616 T617 | L595-Y619 HydrophobicContact CD1-CD1 3.81Å; L595-Y619 HydrophobicContact CD1-CE1 4.35Å; M597-Y619 WeakPolarHBondContact O-CE1 3.03Å; H599-Y619 HydrophobicContact CB-CD2 4.14Å; H599-Y619 HydrophobicContact CB-CE1 4.16Å; H599-Y619 HydrophobicContact CB-CE2 3.6Å; P614-Y619 VanDerWaalsContact CB-O 3.28Å; P614-Y619 WeakPolarHBondContact CB-O 3.37Å; I615-Y619 HydrophobicContact CG2-CD2 4.02Å; I615-Y619 HydrophobicContact CG2-CE2 3.95Å; S616-Y619 PolarHBondContact O-N 3.1Å; T617-Y619 VanDerWaalsContact C-N 3.35Å |
| 620 | P | 90.2 | Very high | 89.8 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | trans | -72.4 | 155.4 | 174.8 | 31.5 | -35.6 | 0 | 0 | 0 | 111.5 | Y598 Y600 T622 | Y598-P620 HydrophobicContact CD1-CG 4.3Å; Y598-P620 HydrophobicContact CE1-CG 3.78Å; Y600-P620 VanDerWaalsContact CE1-O 3.23Å; Y600-P620 WeakPolarHBondContact CE1-O 3.38Å; Y600-P620 PolarHBondContact OH-O 2.91Å; P620-T622 WeakPolarHBondContact CB-O 3.49Å; P620-T622 VanDerWaalsContact CG-O 3.23Å; P620-T622 WeakPolarHBondContact CG-O 3.3Å | ||
| 621 | T | 89.5 | Confident | 88.5 | Confident | 75 Ų | 75 | 61 Ų | 61 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -66.1 | -37.1 | 178.5 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | P614 Q674 | P614-T621 HydrophobicContact CG-CG2 4.12Å; T621-Q674 PolarHBondContact O-NE2 3.5Å; T621-Q674 PolarHBondContact O-OE1 3.46Å |
| 622 | T | 90.7 | Very high | 87.3 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -101.6 | 147.2 | 170.8 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | P620 N672 Q674 | P620-T622 WeakPolarHBondContact CB-O 3.49Å; P620-T622 VanDerWaalsContact CG-O 3.23Å; P620-T622 WeakPolarHBondContact CG-O 3.3Å; T622-N672 WeakPolarHBondContact CB-O 3.17Å; T622-N672 WeakPolarHBondContact CG2-O 3.26Å; T622-Q674 HydrophobicContact CG2-CB 3.98Å |
| 623 | I | 91.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | trans | -82.1 | 126.6 | 167.2 | -64.5 | 169.9 | 0 | 0 | 0 | 107.7 | F593 Y598 Y600 Y636 G673 I675 V693 V706 | F593-I623 HydrophobicContact CD1-CG2 3.98Å; F593-I623 HydrophobicContact CE1-CG2 3.68Å; Y598-I623 HydrophobicContact CD1-CG1 3.83Å; Y598-I623 HydrophobicContact CD2-CG1 4.39Å; Y598-I623 HydrophobicContact CD2-CG2 4.44Å; Y598-I623 HydrophobicContact CE1-CB 4.43Å; Y598-I623 HydrophobicContact CE1-CG1 4.09Å; Y598-I623 HydrophobicContact CE1-CG2 4.25Å; Y598-I623 HydrophobicContact CE2-CG2 4.02Å; Y598-I623 HydrophobicContact CG-CD1 4.32Å; Y598-I623 HydrophobicContact CG-CG1 3.99Å; Y600-I623 HydrophobicContact CE2-CD1 4.09Å; Y600-I623 HydrophobicContact CE2-CG1 4.09Å; Y600-I623 WeakPolarHBondContact OH-CG1 3.12Å; I623-Y636 HydrophobicContact CG2-CE1 4.37Å; I623-Y636 WeakPolarHBondContact O-CE1 3.19Å; I623-G673 PolarHBondContact N-O 3.23Å; I623-G673 WeakPolarHBondContact O-CA 3.14Å; I623-I675 HydrophobicContact CD1-CD1 3.63Å; I623-I675 HydrophobicContact CD1-CG1 4.33Å; I623-V693 HydrophobicContact CD1-CB 4.13Å; I623-V693 HydrophobicContact CD1-CG1 4.29Å; I623-V693 HydrophobicContact CD1-CG2 3.7Å; I623-V693 HydrophobicContact CG2-CG1 4.18Å; I623-V706 HydrophobicContact CD1-CG2 3.75Å | ||
| 624 | I | 88.5 | Confident | 86.3 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | trans | -123.4 | 122.3 | 179.1 | -57.6 | 175.1 | 0 | 0 | 0 | 107.7 | P594 Y598 | P594-I624 WeakPolarHBondContact CD-O 3.43Å; Y598-I624 PolarHBondContact OH-O 2.7Å | ||
| 625 | A | 89.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 38% | 0.375 | C | S | . | . | trans | -95.5 | 154 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110 | S592 F593 L634 Y636 V695 | S592-A625 CarbonylContact O-C 3.56Å; S592-A625 WeakPolarHBondContact O-CA 3.37Å; S592-A625 WeakPolarHBondContact O-CB 3.2Å; F593-A625 HydrophobicContact CD1-CB 4.06Å; F593-A625 HydrophobicContact CE1-CB 3.95Å; F593-A625 HydrophobicContact CZ-CB 4.3Å; A625-L634 HydrophobicContact CB-CD1 4.43Å; A625-Y636 PolarHBondContact N-OH 3.35Å; A625-V695 HydrophobicContact CB-CB 4.24Å; A625-V695 HydrophobicContact CB-CG1 4.18Å; A625-V695 HydrophobicContact CB-CG2 3.91Å | ||
| 626 | T | 88.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -120.7 | 128.4 | 175.2 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | S592 | S592-T626 PolarHBondContact N-O 2.8Å; S592-T626 PolarHBondContact O-N 3.21Å; S592-T626 PolarHBondContact O-OG1 3.25Å; S592-T626 PolarHBondContact OG-O 3.21Å; S592-T626 PolarHBondContact OG-OG1 3.38Å |
| 627 | D | 89.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | trans | -109.5 | 149.7 | 172.8 | -168.3 | -18 | 0 | 0 | 0 | 107.8 | D629 N632 L634 | D627-D629 WeakPolarHBondContact OD1-CB 3.18Å; D627-D629 PolarHBondContact OD1-N 2.88Å; D627-N632 WeakPolarHBondContact OD2-CB 3.45Å; D627-N632 PolarHBondContact OD2-ND2 3.23Å; D627-L634 HydrophobicContact CB-CD1 4.01Å; D627-L634 HydrophobicContact CB-CD2 3.94Å; D627-L634 HydrophobicContact CB-CG 4.36Å | ||
| 628 | S | 87 | Confident | 86.7 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | trans | -90.6 | -22.4 | 179.2 | -44.8 | 0 | 0 | 0 | 0 | 111.7 | R553 | R553-S628 PolarHBondContact NH2-O 2.68Š| ||
| 629 | D | 88 | Confident | 86.8 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -84.6 | 157.7 | -167.1 | -54.8 | -6.5 | 0 | 0 | 0 | 111.3 | N587 D588 S589 D627 N632 | N587-D629 VanDerWaalsContact CA-OD2 3.24Å; N587-D629 WeakPolarHBondContact CA-OD2 2.93Å; D588-D629 PolarHBondContact N-OD2 3.21Å; S589-D629 WeakPolarHBondContact CB-OD1 3.42Å; S589-D629 PolarHBondContact N-OD2 2.75Å; S589-D629 PolarHBondContact OG-OD1 3.27Å; D627-D629 WeakPolarHBondContact OD1-CB 3.18Å; D627-D629 PolarHBondContact OD1-N 2.88Å; D629-N632 WeakPolarHBondContact CB-ND2 3.25Å |
| 630 | L | 82.2 | Confident | 86.5 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -87.1 | 129.8 | -171.8 | -78.8 | 170.6 | 0 | 0 | 0 | 112.8 | D585 N632 | D585-L630 HydrophobicContact CB-CB 3.99Å; D585-L630 HydrophobicContact CB-CD1 4.38Å; D585-L630 VanDerWaalsContact CG-N 3.29Å; D585-L630 WeakPolarHBondContact OD1-CB 3.35Å; D585-L630 PolarHBondContact OD1-N 2.81Å; D585-L630 PolarHBondContact OD2-N 2.75Å; L630-N632 PolarHBondContact O-N 3.23Å |
| 631 | N | 67.5 | Low | 85.8 | Confident | 154 Ų | 154 | 53.1 Ų | 53.1 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 66.1 | 6.8 | 176.3 | -44.4 | -74.5 | 0 | 0 | 0 | 115.6 | T633 | N631-T633 PolarHBondContact O-N 3.01Å; N631-T633 VanDerWaalsContact O-N 3.1Å |
| 632 | N | 67.6 | Low | 84.8 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | trans | -58.2 | 114.7 | 173.2 | -85.3 | -3.3 | 0 | 0 | 0 | 110.9 | N587 D627 D629 L630 L634 D697 | N587-N632 PolarHBondContact ND2-ND2 2.84Å; N587-N632 PolarHBondContact ND2-OD1 2.72Å; D627-N632 WeakPolarHBondContact OD2-CB 3.45Å; D627-N632 PolarHBondContact OD2-ND2 3.23Å; D629-N632 WeakPolarHBondContact CB-ND2 3.25Å; L630-N632 PolarHBondContact O-N 3.23Å; N632-L634 PolarHBondContact O-N 3.03Å; N632-D697 HydrophobicContact CB-CB 4.29Å | ||
| 633 | T | 80 | Confident | 83.2 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 64% | 0.638 | 28% | 0.281 | S | S | * | . | trans | -83.8 | 94 | 178 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | N631 I635 | N631-T633 PolarHBondContact O-N 3.01Å; N631-T633 VanDerWaalsContact O-N 3.1Å; T633-I635 PolarHBondContact O-N 2.04Å | ||
| 634 | L | 87.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | trans | -66.8 | 115.3 | -178.6 | -60.1 | -174.6 | 0 | 0 | 0 | 112.4 | P591 A625 D627 N632 Y636 V695 D697 | P591-L634 HydrophobicContact CB-CD2 4.09Å; P591-L634 HydrophobicContact CG-CD2 3.66Å; A625-L634 HydrophobicContact CB-CD1 4.43Å; D627-L634 HydrophobicContact CB-CD1 4.01Å; D627-L634 HydrophobicContact CB-CD2 3.94Å; D627-L634 HydrophobicContact CB-CG 4.36Å; N632-L634 PolarHBondContact O-N 3.03Å; L634-Y636 HydrophobicContact CB-CE2 4.25Å; L634-V695 HydrophobicContact CB-CG1 3.83Å; L634-V695 HydrophobicContact CD1-CG1 4.34Å; L634-V695 HydrophobicContact CD2-CG1 3.85Å; L634-V695 HydrophobicContact CG-CG1 4.22Å; L634-D697 HydrophobicContact CD2-CB 3.95Å | ||
| 635 | I | 89.8 | Confident | 79.7 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 46% | 0.456 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.3 | 179.2 | -63.1 | 173.2 | 0 | 0 | 0 | 109.9 | T633 P670 V695 D696 | T633-I635 PolarHBondContact O-N 2.04Å; I635-P670 WeakPolarHBondContact CA-O 3.04Å; I635-P670 HydrophobicContact CG2-CB 4.21Å; I635-V695 WeakPolarHBondContact O-CA 3.17Å; I635-D696 PolarHBondContact N-O 2.76Å; I635-D696 PolarHBondContact O-N 2.63Å |
| 636 | Y | 92.9 | Very high | 77.9 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.2 | 179.9 | -64.6 | -107.5 | 0 | 0 | 0 | 111 | I623 A625 L634 P670 V693 V695 | I623-Y636 HydrophobicContact CG2-CE1 4.37Å; I623-Y636 WeakPolarHBondContact O-CE1 3.19Å; A625-Y636 PolarHBondContact N-OH 3.35Å; L634-Y636 HydrophobicContact CB-CE2 4.25Å; Y636-P670 WeakPolarHBondContact CD2-O 3.31Å; Y636-P670 PolarHBondContact N-O 2.88Å; Y636-P670 WeakPolarHBondContact O-CA 3.46Å; Y636-V693 HydrophobicContact CD1-CG1 4.25Å; Y636-V695 HydrophobicContact CD1-CG2 3.39Å; Y636-V695 HydrophobicContact CD2-CG2 4.32Å; Y636-V695 HydrophobicContact CE1-CG2 3.43Å; Y636-V695 VanDerWaalsContact CE1-CG2 3.43Å; Y636-V695 HydrophobicContact CE2-CG2 4.35Å; Y636-V695 HydrophobicContact CG-CG2 3.85Å |
| 637 | R | 92.1 | Very high | 76 | Confident | 81 Ų | 81 | 68 Ų | 68 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.2 | 172.2 | 67.7 | 170.9 | -179.5 | -94.5 | 6.4 | 113.9 | E639 V693 C694 D696 L701 | R637-E639 HydrophobicContact CG-CG 4.33Å; R637-E639 IonicContact CZ-OE1 3.97Å; R637-E639 IonicContact NE-OE1 3.53Å; R637-E639 PolarHBondContact NE-OE1 3.09Å; R637-E639 IonicContact NH2-OE1 3.12Å; R637-V693 WeakPolarHBondContact O-CA 3.37Å; R637-C694 HydrophobicContact CG-CB 4.45Å; R637-C694 PolarHBondContact N-O 2.89Å; R637-C694 PolarHBondContact O-N 3.38Å; R637-D696 IonicContact CZ-OD2 2.66Å; R637-D696 IonicContact NH1-OD2 2.95Å; R637-D696 PolarHBondContact NH1-OD2 3.42Å; R637-D696 IonicContact NH2-OD2 3.83Å; R637-D696 PolarHBondContact NH2-OD2 2.8Å; R637-L701 VanDerWaalsContact NH2-CD1 3.29Å |
| 638 | L | 93.1 | Very high | 73.9 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.7 | 176 | -55.9 | -169.4 | 0 | 0 | 0 | 111.1 | Y663 F666 I668 F691 C692 V693 | L638-Y663 HydrophobicContact CB-CD2 4.38Å; L638-F666 HydrophobicContact CD1-CB 3.71Å; L638-I668 HydrophobicContact CD2-CB 3.81Å; L638-I668 HydrophobicContact CD2-CD1 3.96Å; L638-I668 HydrophobicContact CD2-CG1 4.49Å; L638-I668 HydrophobicContact CD2-CG2 3.85Å; L638-I668 HydrophobicContact CG-CB 4.05Å; L638-I668 HydrophobicContact CG-CG2 3.81Å; L638-F691 HydrophobicContact CD1-CE2 4.27Å; L638-F691 HydrophobicContact CD2-CD2 4.14Å; L638-F691 HydrophobicContact CD2-CE2 3.75Å; L638-C692 WeakPolarHBondContact CA-O 3.36Å; L638-V693 HydrophobicContact CD2-CG2 3.54Å |
| 639 | E | 86.7 | Confident | 71.8 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156 | -176 | -68.9 | -75 | -165.7 | 0 | 0 | 112.1 | R637 M643 C692 C694 | R637-E639 HydrophobicContact CG-CG 4.33Å; R637-E639 IonicContact CZ-OE1 3.97Å; R637-E639 IonicContact NE-OE1 3.53Å; R637-E639 PolarHBondContact NE-OE1 3.09Å; R637-E639 IonicContact NH2-OE1 3.12Å; E639-M643 HydrophobicContact CB-CE 4.15Å; E639-M643 VanDerWaalsContact CD-CE 3.4Å; E639-M643 HydrophobicContact CG-CE 4.02Å; E639-M643 HydrophobicContact CG-SD 4.41Å; E639-M643 WeakPolarHBondContact OE2-CE 3.47Å; E639-C692 HydrophobicContact CB-CB 4.3Å; E639-C692 PolarHBondContact N-O 3.35Å; E639-C692 PolarHBondContact O-N 3.41Å; E639-C694 HydrophobicContact CG-CB 4.19Å; E639-C694 VanDerWaalsContact CG-SG 3.6Å |
| 640 | P | 85 | Confident | 69.4 | Low | 16 Ų | 16 | 81.4 Ų | 81.4 | 10% | 0.104 | 42% | 0.422 | C | S | . | . | trans | -65 | 139.7 | 174.6 | -16.9 | 29.3 | 0 | 0 | 0 | 112.7 | E642 M643 Y663 | P640-E642 PolarHBondContact O-N 3.36Å; P640-M643 WeakPolarHBondContact O-CB 3.45Å; P640-M643 PolarHBondContact O-N 3.39Å; P640-Y663 HydrophobicContact CB-CE1 4.46Å; P640-Y663 HydrophobicContact CG-CD1 4.17Å; P640-Y663 HydrophobicContact CG-CE1 3.75Å | ||
| 641 | I | 75.3 | Confident | 67.4 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 15% | 0.154 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25 | -176.8 | -165.9 | 166.8 | 0 | 0 | 0 | 114.4 | M643 I644 E690 K705 | I641-M643 PolarHBondContact O-N 3.15Å; I641-I644 PolarHBondContact O-N 2.86Å; I641-E690 HydrophobicContact CD1-CB 4.06Å; I641-E690 HydrophobicContact CD1-CG 3.9Å; I641-K705 HydrophobicContact CD1-CD 3.88Å; I641-K705 HydrophobicContact CD1-CG 4.19Å |
| 642 | E | 67.1 | Low | 66.2 | Low | 36 Ų | 36 | 85.3 Ų | 85.3 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.6 | -20.5 | 176.9 | -71.7 | 145.5 | -122.8 | 0 | 0 | 113.7 | P640 I644 M645 L646 V657 Q659 S660 | P640-E642 PolarHBondContact O-N 3.36Å; E642-I644 VanDerWaalsContact C-N 3.29Å; E642-I644 PolarHBondContact O-N 3.28Å; E642-M645 PolarHBondContact O-N 3.13Å; E642-M645 VanDerWaalsContact O-N 3.09Å; E642-L646 PolarHBondContact O-N 2.88Å; E642-V657 VanDerWaalsContact CD-CG1 3.45Å; E642-V657 HydrophobicContact CG-CG1 3.89Å; E642-V657 WeakPolarHBondContact OE2-CG1 3.48Å; E642-Q659 VanDerWaalsContact OE1-CA 3.25Å; E642-Q659 WeakPolarHBondContact OE1-CA 3.45Å; E642-Q659 WeakPolarHBondContact OE2-CA 3.41Å; E642-Q659 WeakPolarHBondContact OE2-CG 3.18Å; E642-S660 PolarHBondContact OE1-N 3.16Å |
| 643 | M | 58.6 | Low | 64.8 | Low | 58 Ų | 58 | 92 Ų | 92 | 29% | 0.286 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 179.3 | -163.6 | -179.8 | -65.1 | 0 | 0 | 112.4 | E639 P640 I641 M645 L646 L701 | E639-M643 HydrophobicContact CB-CE 4.15Å; E639-M643 VanDerWaalsContact CD-CE 3.4Å; E639-M643 HydrophobicContact CG-CE 4.02Å; E639-M643 HydrophobicContact CG-SD 4.41Å; E639-M643 WeakPolarHBondContact OE2-CE 3.47Å; P640-M643 WeakPolarHBondContact O-CB 3.45Å; P640-M643 PolarHBondContact O-N 3.39Å; I641-M643 PolarHBondContact O-N 3.15Å; M643-M645 VanDerWaalsContact C-N 3.28Å; M643-M645 PolarHBondContact O-N 3.12Å; M643-L646 PolarHBondContact O-N 3.01Å; M643-L701 HydrophobicContact SD-CD2 4.2Å |
| 644 | I | 57.7 | Low | 62.9 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 36% | 0.359 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 175 | -69.2 | -174.8 | 0 | 0 | 0 | 111.6 | I641 E642 C692 C703 | I641-I644 PolarHBondContact O-N 2.86Å; E642-I644 VanDerWaalsContact C-N 3.29Å; E642-I644 PolarHBondContact O-N 3.28Å; I644-C692 WeakPolarHBondContact CD1-SG 3.38Å; I644-C703 HydrophobicContact CD1-CB 4.02Å; I644-C703 HydrophobicContact CG1-CB 3.89Å |
| 645 | M | 48.2 | Very low | 60.8 | Low | 150 Ų | 150 | 99.2 Ų | 99.2 | 74% | 0.739 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -76 | -28.8 | -178.9 | -66.1 | -65.7 | -174.5 | 0 | 0 | 113 | E642 M643 | E642-M645 PolarHBondContact O-N 3.13Å; E642-M645 VanDerWaalsContact O-N 3.09Å; M643-M645 VanDerWaalsContact C-N 3.28Å; M643-M645 PolarHBondContact O-N 3.12Å |
| 646 | L | 50.3 | Low | 58.3 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -80.9 | -24.3 | -169.3 | -72 | 167.7 | 0 | 0 | 0 | 114.6 | E642 M643 N648 | E642-L646 PolarHBondContact O-N 2.88Å; M643-L646 PolarHBondContact O-N 3.01Å; L646-N648 VanDerWaalsContact C-N 3.26Å; L646-N648 PolarHBondContact O-N 3.01Å |
| 647 | K | 49.3 | Very low | 55.8 | Low | 150 Ų | 150 | 110.1 Ų | 110.1 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.2 | 177.6 | -75.1 | -173.2 | 177.5 | -179.3 | 0 | 114.1 | L701 | K647-L701 PolarHBondContact NZ-O 2.89Š|
| 648 | N | 45.9 | Very low | 53.7 | Low | 145 Ų | 145 | 113.9 Ų | 113.9 | 78% | 0.775 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -6.8 | -172.9 | -89.9 | -41.1 | 0 | 0 | 0 | 116.2 | L646 | L646-N648 VanDerWaalsContact C-N 3.26Å; L646-N648 PolarHBondContact O-N 3.01Å |
| 649 | Q | 43.3 | Very low | 51.8 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | trans | -141.8 | 91.6 | -179.8 | -66 | -169.3 | 12.7 | 0 | 0 | 112.8 | N651 Y652 | Q649-N651 PolarHBondContact O-N 2.87Å; Q649-Y652 VanDerWaalsContact OE1-CE2 3.31Å | ||
| 650 | S | 37.1 | Very low | 50.7 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 94% | 0.944 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 28.2 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 651 | N | 40 | Very low | 50.4 | Low | 144 Ų | 144 | 121.2 Ų | 121.2 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.6 | 20.2 | -171 | -143.3 | -3.4 | 0 | 0 | 0 | 116.1 | Q649 | Q649-N651 PolarHBondContact O-N 2.87Š|
| 652 | Y | 43.3 | Very low | 51 | Low | 184 Ų | 184 | 120.4 Ų | 120.4 | 72% | 0.722 | 59% | 0.593 | S | S | * | * | trans | -97.1 | 109 | 169 | -101.2 | -80.3 | 0 | 0 | 0 | 111.5 | Q649 | Q649-Y652 VanDerWaalsContact OE1-CE2 3.31Š| ||
| 653 | K | 37.4 | Very low | 52 | Low | 178 Ų | 178 | 121.4 Ų | 121.4 | 77% | 0.774 | 60% | 0.596 | S | S | * | * | trans | -88.6 | 135 | 171.7 | -74.5 | -176.3 | 174.6 | -179.2 | 0 | 111.3 | N655 | K653-N655 PolarHBondContact O-N 2.95Å; K653-N655 VanDerWaalsContact O-N 3.14Å | ||
| 654 | E | 39.2 | Very low | 53.5 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | 31.5 | 67.2 | 149 | -60 | -172.8 | 153.6 | 0 | 0 | 117 | N1099 | E654-N1099 PolarHBondContact OE1-ND2 3.17Å; E654-N1099 PolarHBondContact OE2-ND2 2.93Å | ||
| 655 | N | 43.7 | Very low | 55.2 | Low | 138 Ų | 138 | 122.7 Ų | 122.7 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | trans | -111.3 | 144.3 | 145.1 | -90.9 | -38.4 | 0 | 0 | 0 | 107.7 | K653 V657 | K653-N655 PolarHBondContact O-N 2.95Å; K653-N655 VanDerWaalsContact O-N 3.14Å; N655-V657 PolarHBondContact O-N 3.06Å | ||
| 656 | Y | 39 | Very low | 57.4 | Low | 237 Ų | 237 | 115.9 Ų | 115.9 | 93% | 0.929 | 57% | 0.568 | S | S | * | * | trans | -66.7 | 94.7 | 178.5 | -89.6 | -93.7 | 0 | 0 | 0 | 110.3 | ||||
| 657 | V | 40 | Very low | 59.5 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | trans | -73.5 | 126.9 | 162.7 | -162 | 0 | 0 | 0 | 0 | 107.2 | E642 N655 Q659 | E642-V657 VanDerWaalsContact CD-CG1 3.45Å; E642-V657 HydrophobicContact CG-CG1 3.89Å; E642-V657 WeakPolarHBondContact OE2-CG1 3.48Å; N655-V657 PolarHBondContact O-N 3.06Å; V657-Q659 PolarHBondContact O-N 3.17Å; V657-Q659 VanDerWaalsContact O-N 3.17Å | ||
| 658 | I | 48 | Very low | 61.7 | Low | 159 Ų | 159 | 105.6 Ų | 105.6 | 82% | 0.815 | 52% | 0.523 | S | S | * | . | trans | -83.7 | 93.7 | 177.5 | -60.3 | 174 | 0 | 0 | 0 | 106.4 | S660 | I658-S660 PolarHBondContact O-N 3.04Å; I658-S660 VanDerWaalsContact O-N 3.16Å | ||
| 659 | Q | 52.8 | Low | 64 | Low | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | trans | -46.2 | 119.6 | -179.7 | -75.6 | 178.7 | -29.7 | 0 | 0 | 111.2 | E642 V657 L661 | E642-Q659 VanDerWaalsContact OE1-CA 3.25Å; E642-Q659 WeakPolarHBondContact OE1-CA 3.45Å; E642-Q659 WeakPolarHBondContact OE2-CA 3.41Å; E642-Q659 WeakPolarHBondContact OE2-CG 3.18Å; V657-Q659 PolarHBondContact O-N 3.17Å; V657-Q659 VanDerWaalsContact O-N 3.17Å; Q659-L661 HydrophobicContact CB-CD1 4.1Å; Q659-L661 WeakPolarHBondContact O-CD1 3.09Å; Q659-L661 PolarHBondContact O-N 3.02Å | ||
| 660 | S | 64.1 | Low | 66.3 | Low | 18 Ų | 18 | 97.8 Ų | 97.8 | 13% | 0.126 | 49% | 0.488 | C | S | . | . | trans | -67.2 | 106.7 | 175.5 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | E642 I658 D662 Y663 K686 | E642-S660 PolarHBondContact OE1-N 3.16Å; I658-S660 PolarHBondContact O-N 3.04Å; I658-S660 VanDerWaalsContact O-N 3.16Å; S660-D662 PolarHBondContact O-N 2.79Å; S660-D662 PolarHBondContact OG-OD1 2.9Å; S660-D662 PolarHBondContact OG-OD2 2.83Å; S660-D662 VanDerWaalsContact OG-OD2 3.08Å; S660-Y663 WeakPolarHBondContact O-CD1 3.45Å; S660-K686 PolarHBondContact OG-NZ 3.48Å | ||
| 661 | L | 77.9 | Confident | 68.7 | Low | 89 Ų | 89 | 97.7 Ų | 97.7 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -80.6 | 3.5 | -177.5 | -100.8 | 69 | 0 | 0 | 0 | 113.8 | Q659 Y663 Q664 | Q659-L661 HydrophobicContact CB-CD1 4.1Å; Q659-L661 WeakPolarHBondContact O-CD1 3.09Å; Q659-L661 PolarHBondContact O-N 3.02Å; L661-Y663 PolarHBondContact O-N 3.25Å; L661-Q664 HydrophobicContact CG-CG 4.45Å; L661-Q664 WeakPolarHBondContact O-CB 3.11Å; L661-Q664 PolarHBondContact O-N 3.28Å |
| 662 | D | 88.1 | Confident | 71.1 | Confident | 13 Ų | 13 | 94.1 Ų | 94.1 | 7% | 0.07 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -45.6 | -39.9 | -178.4 | -61.5 | -4.4 | 0 | 0 | 0 | 113.7 | S660 Q664 L665 K686 L689 E690 F691 | S660-D662 PolarHBondContact O-N 2.79Å; S660-D662 PolarHBondContact OG-OD1 2.9Å; S660-D662 PolarHBondContact OG-OD2 2.83Å; S660-D662 VanDerWaalsContact OG-OD2 3.08Å; D662-Q664 PolarHBondContact O-N 3.19Å; D662-Q664 VanDerWaalsContact O-N 3.14Å; D662-L665 WeakPolarHBondContact O-CB 3.47Å; D662-L665 PolarHBondContact O-N 2.74Å; D662-K686 IonicContact OD1-NZ 2.83Å; D662-K686 PolarHBondContact OD1-NZ 2.82Å; D662-K686 WeakPolarHBondContact OD2-CE 3.3Å; D662-K686 IonicContact OD2-NZ 3.33Å; D662-K686 PolarHBondContact OD2-NZ 3.03Å; D662-L689 HydrophobicContact CB-CB 4.19Å; D662-L689 HydrophobicContact CB-CD2 4.25Å; D662-E690 PolarHBondContact OD2-N 2.69Å; D662-F691 HydrophobicContact CB-CD1 4.32Å |
| 663 | Y | 88.8 | Confident | 73.3 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -59.4 | -23.6 | -179.7 | 77.4 | -80.2 | 0 | 0 | 0 | 113.7 | L638 P640 S660 L661 L665 F666 | L638-Y663 HydrophobicContact CB-CD2 4.38Å; P640-Y663 HydrophobicContact CB-CE1 4.46Å; P640-Y663 HydrophobicContact CG-CD1 4.17Å; P640-Y663 HydrophobicContact CG-CE1 3.75Å; S660-Y663 WeakPolarHBondContact O-CD1 3.45Å; L661-Y663 PolarHBondContact O-N 3.25Å; Y663-L665 VanDerWaalsContact C-N 3.28Å; Y663-L665 PolarHBondContact O-N 3.46Å; Y663-F666 PolarHBondContact O-N 2.82Å |
| 664 | Q | 89.5 | Confident | 76 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -77.5 | -12.4 | 177.5 | -56.8 | -173.6 | 0.7 | 0 | 0 | 113.2 | L661 D662 F666 | L661-Q664 HydrophobicContact CG-CG 4.45Å; L661-Q664 WeakPolarHBondContact O-CB 3.11Å; L661-Q664 PolarHBondContact O-N 3.28Å; D662-Q664 PolarHBondContact O-N 3.19Å; D662-Q664 VanDerWaalsContact O-N 3.14Å; Q664-F666 VanDerWaalsContact C-N 3.26Å |
| 665 | L | 92.8 | Very high | 78.7 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -82.1 | -7.9 | 174.8 | -57.3 | 176.1 | 0 | 0 | 0 | 112.4 | D662 Y663 Q678 G679 L681 L689 | D662-L665 WeakPolarHBondContact O-CB 3.47Å; D662-L665 PolarHBondContact O-N 2.74Å; Y663-L665 VanDerWaalsContact C-N 3.28Å; Y663-L665 PolarHBondContact O-N 3.46Å; L665-Q678 PolarHBondContact O-N 3.39Å; L665-G679 PolarHBondContact O-N 3.48Å; L665-L681 HydrophobicContact CB-CD2 3.79Å; L665-L681 HydrophobicContact CD1-CD2 4.13Å; L665-L681 HydrophobicContact CG-CD2 4.48Å; L665-L689 HydrophobicContact CD1-CD1 3.9Å; L665-L689 HydrophobicContact CD1-CD2 4.25Å |
| 666 | F | 95.5 | Very high | 81.2 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 164.6 | -178.7 | -61.4 | -81.8 | 0 | 0 | 0 | 111.8 | V602 V612 L638 Y663 Q664 I675 F676 T677 L681 L689 F691 I708 | V602-F666 HydrophobicContact CG1-CE1 4.37Å; V612-F666 HydrophobicContact CG1-CD1 4.13Å; V612-F666 HydrophobicContact CG1-CE1 3.9Å; L638-F666 HydrophobicContact CD1-CB 3.71Å; Y663-F666 PolarHBondContact O-N 2.82Å; Q664-F666 VanDerWaalsContact C-N 3.26Å; F666-I675 HydrophobicContact CB-CG2 4.01Å; F666-I675 HydrophobicContact CD1-CG2 3.88Å; F666-I675 HydrophobicContact CG-CG2 4.16Å; F666-F676 CarbonylContact C-O 3.6Å; F666-F676 VanDerWaalsContact CA-O 3.24Å; F666-F676 WeakPolarHBondContact CA-O 3.15Å; F666-F676 WeakPolarHBondContact CB-O 3.38Å; F666-F676 WeakPolarHBondContact CD1-O 3.23Å; F666-T677 HydrophobicContact CE1-CG2 4.25Å; F666-L681 HydrophobicContact CE1-CD1 4.4Å; F666-L681 HydrophobicContact CE1-CD2 4.45Å; F666-L681 HydrophobicContact CE2-CD2 4.41Å; F666-L681 HydrophobicContact CZ-CD1 4.46Å; F666-L681 HydrophobicContact CZ-CD2 3.98Å; F666-L689 HydrophobicContact CE2-CB 4.24Å; F666-L689 HydrophobicContact CE2-CD1 3.56Å; F666-L689 HydrophobicContact CZ-CD1 3.81Å; F666-F691 HydrophobicContact CB-CZ 4.39Å; F666-F691 HydrophobicContact CD2-CD1 4.3Å; F666-F691 AromaticContact CD2-CE1 3.43Å; F666-F691 HydrophobicContact CD2-CE1 3.43Å; F666-F691 VanDerWaalsContact CD2-CE1 3.43Å; F666-F691 AromaticContact CD2-CZ 3.84Å; F666-F691 HydrophobicContact CD2-CZ 3.84Å; F666-F691 AromaticContact CE2-CE1 3.69Å; F666-F691 HydrophobicContact CE2-CE1 3.69Å; F666-F691 HydrophobicContact CE2-CZ 4.38Å; F666-F691 HydrophobicContact CG-CE1 4.19Å; F666-F691 HydrophobicContact CG-CZ 4.14Å; F666-I708 HydrophobicContact CD1-CD1 4.05Å; F666-I708 HydrophobicContact CD2-CD1 4.4Å; F666-I708 HydrophobicContact CE1-CD1 3.69Å; F666-I708 HydrophobicContact CE1-CG2 4.33Å; F666-I708 HydrophobicContact CE2-CD1 4.05Å; F666-I708 HydrophobicContact CG-CD1 4.4Å; F666-I708 HydrophobicContact CZ-CB 4.18Å; F666-I708 HydrophobicContact CZ-CD1 3.7Å; F666-I708 HydrophobicContact CZ-CG1 4.42Å; F666-I708 HydrophobicContact CZ-CG2 3.94Å |
| 667 | S | 94.4 | Very high | 83.8 | Confident | 36 Ų | 36 | 56 Ų | 56 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 162.6 | 165.2 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | I675 F676 Q678 | S667-I675 WeakPolarHBondContact O-CA 3.21Å; S667-F676 PolarHBondContact N-O 3.46Å; S667-F676 PolarHBondContact O-N 3.03Å; S667-Q678 PolarHBondContact OG-OE1 3.04Å |
| 668 | I | 95.7 | Very high | 86.3 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.4 | 177.3 | -166.5 | 163.9 | 0 | 0 | 0 | 108.9 | L638 P670 Q674 I675 V693 | L638-I668 HydrophobicContact CD2-CB 3.81Å; L638-I668 HydrophobicContact CD2-CD1 3.96Å; L638-I668 HydrophobicContact CD2-CG1 4.49Å; L638-I668 HydrophobicContact CD2-CG2 3.85Å; L638-I668 HydrophobicContact CG-CB 4.05Å; L638-I668 HydrophobicContact CG-CG2 3.81Å; I668-P670 WeakPolarHBondContact O-CD 3.4Å; I668-Q674 WeakPolarHBondContact CA-O 3.43Å; I668-I675 HydrophobicContact CB-CG1 4.5Å; I668-I675 HydrophobicContact CD1-CG1 3.93Å; I668-I675 HydrophobicContact CG1-CG1 4.12Å; I668-V693 HydrophobicContact CD1-CB 4.46Å; I668-V693 HydrophobicContact CD1-CG1 3.78Å; I668-V693 HydrophobicContact CD1-CG2 3.78Å |
| 669 | D | 92.8 | Very high | 88.1 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | trans | -70.6 | 118.5 | 169 | -174.8 | -39.6 | 0 | 0 | 0 | 108.7 | N671 N672 G673 Q674 F676 | D669-N671 PolarHBondContact O-N 2.9Å; D669-N671 VanDerWaalsContact O-N 3.07Å; D669-N671 WeakPolarHBondContact OD1-CB 3.25Å; D669-N671 PolarHBondContact OD1-N 3.07Å; D669-N671 PolarHBondContact OD1-ND2 2.66Å; D669-N672 WeakPolarHBondContact CB-OD1 3.49Å; D669-N672 PolarHBondContact O-N 3Å; D669-N672 PolarHBondContact OD2-ND2 3.13Å; D669-G673 PolarHBondContact O-N 3.39Å; D669-Q674 PolarHBondContact N-O 2.73Å; D669-F676 HydrophobicContact CB-CE2 4.29Å | ||
| 670 | P | 91.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.7 | -173.3 | 27.7 | -34.5 | 0 | 0 | 0 | 113.8 | I635 Y636 I668 | I635-P670 WeakPolarHBondContact CA-O 3.04Å; I635-P670 HydrophobicContact CG2-CB 4.21Å; Y636-P670 WeakPolarHBondContact CD2-O 3.31Å; Y636-P670 PolarHBondContact N-O 2.88Å; Y636-P670 WeakPolarHBondContact O-CA 3.46Å; I668-P670 WeakPolarHBondContact O-CD 3.4Å |
| 671 | N | 88.9 | Confident | 91.1 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 71% | 0.711 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -20.1 | -175.5 | -41.6 | -90.3 | 0 | 0 | 0 | 113.8 | D669 | D669-N671 PolarHBondContact O-N 2.9Å; D669-N671 VanDerWaalsContact O-N 3.07Å; D669-N671 WeakPolarHBondContact OD1-CB 3.25Å; D669-N671 PolarHBondContact OD1-N 3.07Å; D669-N671 PolarHBondContact OD1-ND2 2.66Å |
| 672 | N | 88.9 | Confident | 91.7 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -1.6 | -175.1 | 67.3 | 51.6 | 0 | 0 | 0 | 115.2 | T622 D669 Q674 | T622-N672 WeakPolarHBondContact CB-O 3.17Å; T622-N672 WeakPolarHBondContact CG2-O 3.26Å; D669-N672 WeakPolarHBondContact CB-OD1 3.49Å; D669-N672 PolarHBondContact O-N 3Å; D669-N672 PolarHBondContact OD2-ND2 3.13Å; N672-Q674 VanDerWaalsContact C-N 3.26Å; N672-Q674 PolarHBondContact O-N 2.76Å; N672-Q674 VanDerWaalsContact OD1-CB 3.26Å; N672-Q674 WeakPolarHBondContact OD1-CB 2.86Å; N672-Q674 PolarHBondContact OD1-N 2.85Å |
| 673 | G | 90.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | 68.4 | 17 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I623 D669 I675 | I623-G673 PolarHBondContact N-O 3.23Å; I623-G673 WeakPolarHBondContact O-CA 3.14Å; D669-G673 PolarHBondContact O-N 3.39Å; G673-I675 PolarHBondContact O-N 2.9Å | ||
| 674 | Q | 94.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | trans | -71.8 | 123.1 | 168.5 | -171 | 58.9 | 71.3 | 0 | 0 | 110 | P611 T621 T622 I668 D669 N672 F676 | P611-Q674 HydrophobicContact CB-CG 4.44Å; T621-Q674 PolarHBondContact O-NE2 3.5Å; T621-Q674 PolarHBondContact O-OE1 3.46Å; T622-Q674 HydrophobicContact CG2-CB 3.98Å; I668-Q674 WeakPolarHBondContact CA-O 3.43Å; D669-Q674 PolarHBondContact N-O 2.73Å; N672-Q674 VanDerWaalsContact C-N 3.26Å; N672-Q674 PolarHBondContact O-N 2.76Å; N672-Q674 VanDerWaalsContact OD1-CB 3.26Å; N672-Q674 WeakPolarHBondContact OD1-CB 2.86Å; N672-Q674 PolarHBondContact OD1-N 2.85Å; Q674-F676 HydrophobicContact CB-CE2 3.72Å; Q674-F676 HydrophobicContact CB-CZ 3.93Å; Q674-F676 HydrophobicContact CG-CD2 4.31Å; Q674-F676 HydrophobicContact CG-CE1 4Å; Q674-F676 HydrophobicContact CG-CE2 3.6Å; Q674-F676 HydrophobicContact CG-CZ 3.43Å; Q674-F676 VanDerWaalsContact CG-CZ 3.43Å; Q674-F676 WeakPolarHBondContact O-CD2 3.22Å; Q674-F676 WeakPolarHBondContact O-CE2 3.19Å | ||
| 675 | I | 95.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.1 | 172.7 | -62.2 | 171.4 | 0 | 0 | 0 | 110 | V612 I623 F666 S667 I668 G673 F691 V693 V706 I708 | V612-I675 HydrophobicContact CG1-CG2 4Å; V612-I675 HydrophobicContact CG2-CB 3.74Å; V612-I675 HydrophobicContact CG2-CG2 3.98Å; V612-I675 PolarHBondContact N-O 2.74Å; V612-I675 VanDerWaalsContact N-O 3.17Å; I623-I675 HydrophobicContact CD1-CD1 3.63Å; I623-I675 HydrophobicContact CD1-CG1 4.33Å; F666-I675 HydrophobicContact CB-CG2 4.01Å; F666-I675 HydrophobicContact CD1-CG2 3.88Å; F666-I675 HydrophobicContact CG-CG2 4.16Å; S667-I675 WeakPolarHBondContact O-CA 3.21Å; I668-I675 HydrophobicContact CB-CG1 4.5Å; I668-I675 HydrophobicContact CD1-CG1 3.93Å; I668-I675 HydrophobicContact CG1-CG1 4.12Å; G673-I675 PolarHBondContact O-N 2.9Å; I675-F691 HydrophobicContact CD1-CE2 4.07Å; I675-F691 HydrophobicContact CD1-CZ 4.17Å; I675-V693 HydrophobicContact CD1-CG2 4.01Å; I675-V706 HydrophobicContact CD1-CG1 4.05Å; I675-V706 HydrophobicContact CD1-CG2 4.39Å; I675-I708 HydrophobicContact CG2-CD1 4.2Å |
| 676 | F | 95.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.4 | 175.3 | -57.2 | -92.5 | 0 | 0 | 0 | 111.1 | T610 P611 F666 S667 D669 Q674 | T610-F676 CarbonylContact O-C 3.32Å; T610-F676 VanDerWaalsContact O-CA 3.28Å; T610-F676 WeakPolarHBondContact O-CA 3.44Å; P611-F676 HydrophobicContact CB-CD1 3.87Å; P611-F676 HydrophobicContact CB-CE1 3.85Å; P611-F676 HydrophobicContact CG-CE1 4.49Å; F666-F676 CarbonylContact C-O 3.6Å; F666-F676 VanDerWaalsContact CA-O 3.24Å; F666-F676 WeakPolarHBondContact CA-O 3.15Å; F666-F676 WeakPolarHBondContact CB-O 3.38Å; F666-F676 WeakPolarHBondContact CD1-O 3.23Å; S667-F676 PolarHBondContact N-O 3.46Å; S667-F676 PolarHBondContact O-N 3.03Å; D669-F676 HydrophobicContact CB-CE2 4.29Å; Q674-F676 HydrophobicContact CB-CE2 3.72Å; Q674-F676 HydrophobicContact CB-CZ 3.93Å; Q674-F676 HydrophobicContact CG-CD2 4.31Å; Q674-F676 HydrophobicContact CG-CE1 4Å; Q674-F676 HydrophobicContact CG-CE2 3.6Å; Q674-F676 HydrophobicContact CG-CZ 3.43Å; Q674-F676 VanDerWaalsContact CG-CZ 3.43Å; Q674-F676 WeakPolarHBondContact O-CD2 3.22Å; Q674-F676 WeakPolarHBondContact O-CE2 3.19Å |
| 677 | T | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 148.6 | 169 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | V602 S607 P608 G609 T610 F666 L681 | V602-T677 HydrophobicContact CG2-CG2 3.92Å; S607-T677 PolarHBondContact O-OG1 2.9Å; P608-T677 WeakPolarHBondContact CA-OG1 3.19Å; G609-T677 PolarHBondContact N-O 2.78Å; G609-T677 PolarHBondContact N-OG1 3.2Å; T610-T677 PolarHBondContact N-OG1 3.14Å; T610-T677 PolarHBondContact O-N 2.94Å; F666-T677 HydrophobicContact CE1-CG2 4.25Å; T677-L681 HydrophobicContact CG2-CD1 3.67Å |
| 678 | Q | 91.9 | Very high | 91.1 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -141.2 | -33.4 | -175.3 | -176.5 | 57.7 | 67.5 | 0 | 0 | 113.8 | L665 S667 | L665-Q678 PolarHBondContact O-N 3.39Å; S667-Q678 PolarHBondContact OG-OE1 3.04Å | ||
| 679 | G | 86.1 | Confident | 91 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -114 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | L665 L681 | L665-G679 PolarHBondContact O-N 3.48Å; G679-L681 PolarHBondContact O-N 2.93Å |
| 680 | D | 86.7 | Confident | 90.9 | Very high | 148 Ų | 148 | 55.8 Ų | 55.8 | 79% | 0.791 | 29% | 0.288 | S | S | * | . | trans | -67.5 | 125.7 | 174.9 | -48.3 | -50.8 | 0 | 0 | 0 | 109.9 | ||||
| 681 | L | 92.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | trans | -96 | 155 | 175.9 | -55.3 | 174.3 | 0 | 0 | 0 | 110.1 | V602 E604 L665 F666 T677 G679 L689 L710 | V602-L681 HydrophobicContact CG1-CD1 3.81Å; E604-L681 HydrophobicContact CB-CB 4.44Å; E604-L681 WeakPolarHBondContact O-CB 3.44Å; L665-L681 HydrophobicContact CB-CD2 3.79Å; L665-L681 HydrophobicContact CD1-CD2 4.13Å; L665-L681 HydrophobicContact CG-CD2 4.48Å; F666-L681 HydrophobicContact CE1-CD1 4.4Å; F666-L681 HydrophobicContact CE1-CD2 4.45Å; F666-L681 HydrophobicContact CE2-CD2 4.41Å; F666-L681 HydrophobicContact CZ-CD1 4.46Å; F666-L681 HydrophobicContact CZ-CD2 3.98Å; T677-L681 HydrophobicContact CG2-CD1 3.67Å; G679-L681 PolarHBondContact O-N 2.93Å; L681-L689 HydrophobicContact CD2-CD1 3.95Å; L681-L710 HydrophobicContact CB-CD1 4.1Å; L681-L710 HydrophobicContact CB-CD2 4.23Å; L681-L710 HydrophobicContact CD1-CD2 3.86Å; L681-L710 HydrophobicContact CD2-CD2 4.36Å; L681-L710 HydrophobicContact CG-CD2 4.39Å | ||
| 682 | D | 90.5 | Very high | 91 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -167.2 | 119.1 | -174.7 | 171.2 | -54.9 | 0 | 0 | 0 | 108.3 | E684 K685 K686 | D682-E684 PolarHBondContact OD1-N 2.93Å; D682-K685 HydrophobicContact CB-CB 4.44Å; D682-K685 HydrophobicContact CB-CD 3.9Å; D682-K685 HydrophobicContact CB-CG 4.39Å; D682-K685 VanDerWaalsContact CG-NZ 3.35Å; D682-K685 WeakPolarHBondContact OD1-CB 3.2Å; D682-K685 WeakPolarHBondContact OD1-CG 3.42Å; D682-K685 PolarHBondContact OD1-N 3.02Å; D682-K685 WeakPolarHBondContact OD2-CD 3.11Å; D682-K685 WeakPolarHBondContact OD2-CE 3.1Å; D682-K685 IonicContact OD2-NZ 3.37Å; D682-K685 PolarHBondContact OD2-NZ 3.36Å; D682-K686 PolarHBondContact O-N 3.35Å | ||
| 683 | R | 92.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -83.2 | -29.7 | -170.3 | -171.1 | -158.1 | 66.3 | 67.3 | 2 | 112 | E604 K686 S687 L710 D712 L747 S749 | E604-R683 WeakPolarHBondContact OE2-CB 3.42Å; E604-R683 PolarHBondContact OE2-N 3.35Å; R683-K686 CarbonylContact O-C 3.48Å; R683-K686 VanDerWaalsContact O-C 3.27Å; R683-K686 PolarHBondContact O-N 2.6Å; R683-S687 WeakPolarHBondContact O-CA 3.12Å; R683-S687 PolarHBondContact O-N 3.23Å; R683-L710 HydrophobicContact CB-CB 4.02Å; R683-L710 HydrophobicContact CB-CD1 4.48Å; R683-L710 HydrophobicContact CG-CB 4.01Å; R683-D712 IonicContact CZ-OD1 2.72Å; R683-D712 IonicContact NE-OD1 2.74Å; R683-D712 PolarHBondContact NE-OD1 3.08Å; R683-D712 IonicContact NH2-OD1 3.19Å; R683-D712 PolarHBondContact NH2-OD1 3.33Å; R683-L747 PolarHBondContact NH2-O 3.04Å; R683-S749 PolarHBondContact NH1-OG 3.24Å; R683-S749 PolarHBondContact NH2-OG 3.32Å; R683-S749 VanDerWaalsContact NH2-OG 3.07Å |
| 684 | E | 89.4 | Confident | 91.3 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -33.6 | 179.5 | -68 | 62.2 | -126.3 | 0 | 0 | 111.4 | D682 N716 L747 | D682-E684 PolarHBondContact OD1-N 2.93Å; E684-N716 WeakPolarHBondContact CG-ND2 3.49Å; E684-L747 HydrophobicContact CB-CB 4.31Å; E684-L747 HydrophobicContact CG-CB 3.52Å |
| 685 | K | 88.3 | Confident | 91.1 | Very high | 167 Ų | 167 | 41.9 Ų | 41.9 | 73% | 0.726 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.7 | -51.5 | 165.1 | -72.1 | 170.3 | -163.6 | 131 | 0 | 110.3 | D682 | D682-K685 HydrophobicContact CB-CB 4.44Å; D682-K685 HydrophobicContact CB-CD 3.9Å; D682-K685 HydrophobicContact CB-CG 4.39Å; D682-K685 VanDerWaalsContact CG-NZ 3.35Å; D682-K685 WeakPolarHBondContact OD1-CB 3.2Å; D682-K685 WeakPolarHBondContact OD1-CG 3.42Å; D682-K685 PolarHBondContact OD1-N 3.02Å; D682-K685 WeakPolarHBondContact OD2-CD 3.11Å; D682-K685 WeakPolarHBondContact OD2-CE 3.1Å; D682-K685 IonicContact OD2-NZ 3.37Å; D682-K685 PolarHBondContact OD2-NZ 3.36Å |
| 686 | K | 86.2 | Confident | 90.7 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 31% | 0.313 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -161.5 | 100.1 | -177.6 | -169.2 | 167.3 | 170 | -177 | 0 | 114.3 | S660 D662 D682 R683 T688 L689 | S660-K686 PolarHBondContact OG-NZ 3.48Å; D662-K686 IonicContact OD1-NZ 2.83Å; D662-K686 PolarHBondContact OD1-NZ 2.82Å; D662-K686 WeakPolarHBondContact OD2-CE 3.3Å; D662-K686 IonicContact OD2-NZ 3.33Å; D662-K686 PolarHBondContact OD2-NZ 3.03Å; D682-K686 PolarHBondContact O-N 3.35Å; R683-K686 CarbonylContact O-C 3.48Å; R683-K686 VanDerWaalsContact O-C 3.27Å; R683-K686 PolarHBondContact O-N 2.6Å; K686-T688 VanDerWaalsContact C-N 3.3Å; K686-T688 WeakPolarHBondContact CE-O 3.39Å; K686-T688 WeakPolarHBondContact CG-O 3.5Å; K686-T688 PolarHBondContact O-N 2.99Å; K686-L689 HydrophobicContact CB-CD2 4.05Å; K686-L689 HydrophobicContact CD-CD2 3.73Å; K686-L689 HydrophobicContact CG-CD2 3.81Å |
| 687 | S | 89.3 | Confident | 90.4 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -65.8 | -21.8 | -176.3 | 68.1 | 0 | 0 | 0 | 0 | 116.6 | R683 L710 | R683-S687 WeakPolarHBondContact O-CA 3.12Å; R683-S687 PolarHBondContact O-N 3.23Å; S687-L710 PolarHBondContact O-N 2.81Å |
| 688 | T | 91.9 | Very high | 89.8 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 119.2 | -179.7 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | K686 L707 I708 D709 | K686-T688 VanDerWaalsContact C-N 3.3Å; K686-T688 WeakPolarHBondContact CE-O 3.39Å; K686-T688 WeakPolarHBondContact CG-O 3.5Å; K686-T688 PolarHBondContact O-N 2.99Å; T688-L707 HydrophobicContact CG2-CD2 4.21Å; T688-I708 WeakPolarHBondContact CA-O 3.37Å; T688-D709 WeakPolarHBondContact CB-OD1 3.16Å; T688-D709 WeakPolarHBondContact CG2-OD1 3.45Å; T688-D709 PolarHBondContact OG1-OD1 3.01Å |
| 689 | L | 92.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136 | -179.2 | -60.2 | 175.8 | 0 | 0 | 0 | 109.3 | D662 L665 F666 L681 K686 I708 L710 | D662-L689 HydrophobicContact CB-CB 4.19Å; D662-L689 HydrophobicContact CB-CD2 4.25Å; L665-L689 HydrophobicContact CD1-CD1 3.9Å; L665-L689 HydrophobicContact CD1-CD2 4.25Å; F666-L689 HydrophobicContact CE2-CB 4.24Å; F666-L689 HydrophobicContact CE2-CD1 3.56Å; F666-L689 HydrophobicContact CZ-CD1 3.81Å; L681-L689 HydrophobicContact CD2-CD1 3.95Å; K686-L689 HydrophobicContact CB-CD2 4.05Å; K686-L689 HydrophobicContact CD-CD2 3.73Å; K686-L689 HydrophobicContact CG-CD2 3.81Å; L689-I708 PolarHBondContact N-O 3.05Å; L689-I708 PolarHBondContact O-N 2.98Å; L689-L710 HydrophobicContact CD1-CD1 4.12Å; L689-L710 HydrophobicContact CD1-CD2 4.1Å; L689-L710 HydrophobicContact CD1-CG 4.23Å |
| 690 | E | 91.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.5 | -177.1 | 68.9 | 176.5 | 179.3 | 0 | 0 | 112.4 | I641 D662 K705 L707 | I641-E690 HydrophobicContact CD1-CB 4.06Å; I641-E690 HydrophobicContact CD1-CG 3.9Å; D662-E690 PolarHBondContact OD2-N 2.69Å; E690-K705 VanDerWaalsContact OE2-CE 3.3Å; E690-K705 WeakPolarHBondContact OE2-CE 3.34Å; E690-K705 IonicContact OE2-NZ 3.79Å; E690-K705 PolarHBondContact OE2-NZ 3.25Å; E690-L707 HydrophobicContact CB-CD2 3.69Å |
| 691 | F | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 179 | -179.7 | 55.3 | -92.2 | 0 | 0 | 0 | 110.5 | L638 D662 F666 I675 V693 V706 I708 | L638-F691 HydrophobicContact CD1-CE2 4.27Å; L638-F691 HydrophobicContact CD2-CD2 4.14Å; L638-F691 HydrophobicContact CD2-CE2 3.75Å; D662-F691 HydrophobicContact CB-CD1 4.32Å; F666-F691 HydrophobicContact CB-CZ 4.39Å; F666-F691 HydrophobicContact CD2-CD1 4.3Å; F666-F691 AromaticContact CD2-CE1 3.43Å; F666-F691 HydrophobicContact CD2-CE1 3.43Å; F666-F691 VanDerWaalsContact CD2-CE1 3.43Å; F666-F691 AromaticContact CD2-CZ 3.84Å; F666-F691 HydrophobicContact CD2-CZ 3.84Å; F666-F691 AromaticContact CE2-CE1 3.69Å; F666-F691 HydrophobicContact CE2-CE1 3.69Å; F666-F691 HydrophobicContact CE2-CZ 4.38Å; F666-F691 HydrophobicContact CG-CE1 4.19Å; F666-F691 HydrophobicContact CG-CZ 4.14Å; I675-F691 HydrophobicContact CD1-CE2 4.07Å; I675-F691 HydrophobicContact CD1-CZ 4.17Å; F691-V693 HydrophobicContact CE2-CG2 4.29Å; F691-V706 HydrophobicContact CD2-CB 4.26Å; F691-V706 HydrophobicContact CE2-CB 3.99Å; F691-V706 HydrophobicContact CE2-CG1 4.17Å; F691-V706 HydrophobicContact CE2-CG2 4.37Å; F691-V706 HydrophobicContact CZ-CB 4.33Å; F691-V706 HydrophobicContact CZ-CG1 4.08Å; F691-V706 PolarHBondContact N-O 3.4Å; F691-V706 PolarHBondContact O-N 2.81Å; F691-I708 HydrophobicContact CE1-CD1 3.79Å; F691-I708 HydrophobicContact CE1-CG1 4.01Å; F691-I708 HydrophobicContact CZ-CD1 3.6Å; F691-I708 HydrophobicContact CZ-CG1 4.15Å |
| 692 | C | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140 | 173.9 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | L638 E639 I644 C703 I704 | L638-C692 WeakPolarHBondContact CA-O 3.36Å; E639-C692 HydrophobicContact CB-CB 4.3Å; E639-C692 PolarHBondContact N-O 3.35Å; E639-C692 PolarHBondContact O-N 3.41Å; I644-C692 WeakPolarHBondContact CD1-SG 3.38Å; C692-C703 HydrophobicContact CB-CB 4.35Å; C692-I704 VanDerWaalsContact CA-O 3.27Å; C692-I704 WeakPolarHBondContact CA-O 3.49Å |
| 693 | V | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.5 | 156.1 | 167.8 | 0 | 0 | 0 | 0 | 106.3 | F593 I623 Y636 R637 L638 I668 I675 F691 C703 I704 V706 | F593-V693 HydrophobicContact CE1-CG1 4.48Å; I623-V693 HydrophobicContact CD1-CB 4.13Å; I623-V693 HydrophobicContact CD1-CG1 4.29Å; I623-V693 HydrophobicContact CD1-CG2 3.7Å; I623-V693 HydrophobicContact CG2-CG1 4.18Å; Y636-V693 HydrophobicContact CD1-CG1 4.25Å; R637-V693 WeakPolarHBondContact O-CA 3.37Å; L638-V693 HydrophobicContact CD2-CG2 3.54Å; I668-V693 HydrophobicContact CD1-CB 4.46Å; I668-V693 HydrophobicContact CD1-CG1 3.78Å; I668-V693 HydrophobicContact CD1-CG2 3.78Å; I675-V693 HydrophobicContact CD1-CG2 4.01Å; F691-V693 HydrophobicContact CE2-CG2 4.29Å; V693-C703 CarbonylContact O-C 3.58Å; V693-C703 WeakPolarHBondContact O-CA 3.44Å; V693-I704 HydrophobicContact CB-CG2 4.23Å; V693-I704 PolarHBondContact N-O 2.86Å; V693-I704 PolarHBondContact O-N 3Å; V693-V706 HydrophobicContact CB-CG2 4.06Å; V693-V706 HydrophobicContact CG2-CG2 3.58Å |
| 694 | C | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.4 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | R637 E639 L701 T702 C703 | R637-C694 HydrophobicContact CG-CB 4.45Å; R637-C694 PolarHBondContact N-O 2.89Å; R637-C694 PolarHBondContact O-N 3.38Å; E639-C694 HydrophobicContact CG-CB 4.19Å; E639-C694 VanDerWaalsContact CG-SG 3.6Å; C694-L701 HydrophobicContact CB-CD1 3.65Å; C694-L701 HydrophobicContact CB-CG 4.3Å; C694-T702 CarbonylContact C-O 3.49Å; C694-T702 WeakPolarHBondContact CA-O 3.49Å; C694-T702 VanDerWaalsContact CB-O 3.3Å; C694-T702 WeakPolarHBondContact CB-O 3.17Å; C694-C703 HydrophobicContact CB-CB 4.08Å; C694-C703 WeakPolarHBondContact CB-SG 3.46Å; C694-C703 WeakPolarHBondContact SG-CB 3.13Å; C694-C703 CovalentContact SG-SG 2.04Å; C694-C703 PolarHBondContact SG-SG 3.49Å |
| 695 | V | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.7 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 108 | P591 F593 A625 L634 I635 Y636 T702 | P591-V695 HydrophobicContact CB-CB 4.4Å; P591-V695 HydrophobicContact CB-CG1 3.8Å; P591-V695 HydrophobicContact CG-CG1 4.14Å; F593-V695 HydrophobicContact CE1-CG2 4.03Å; F593-V695 HydrophobicContact CZ-CB 4.06Å; F593-V695 HydrophobicContact CZ-CG2 3.66Å; A625-V695 HydrophobicContact CB-CB 4.24Å; A625-V695 HydrophobicContact CB-CG1 4.18Å; A625-V695 HydrophobicContact CB-CG2 3.91Å; L634-V695 HydrophobicContact CB-CG1 3.83Å; L634-V695 HydrophobicContact CD1-CG1 4.34Å; L634-V695 HydrophobicContact CD2-CG1 3.85Å; L634-V695 HydrophobicContact CG-CG1 4.22Å; I635-V695 WeakPolarHBondContact O-CA 3.17Å; Y636-V695 HydrophobicContact CD1-CG2 3.39Å; Y636-V695 HydrophobicContact CD2-CG2 4.32Å; Y636-V695 HydrophobicContact CE1-CG2 3.43Å; Y636-V695 VanDerWaalsContact CE1-CG2 3.43Å; Y636-V695 HydrophobicContact CE2-CG2 4.35Å; Y636-V695 HydrophobicContact CG-CG2 3.85Å; V695-T702 PolarHBondContact N-O 2.77Å; V695-T702 PolarHBondContact O-N 3.35Å |
| 696 | D | 87.9 | Confident | 89.5 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.6 | -177.7 | -157.3 | -52.9 | 0 | 0 | 0 | 108.4 | I635 R637 S698 H700 L701 | I635-D696 PolarHBondContact N-O 2.76Å; I635-D696 PolarHBondContact O-N 2.63Å; R637-D696 IonicContact CZ-OD2 2.66Å; R637-D696 IonicContact NH1-OD2 2.95Å; R637-D696 PolarHBondContact NH1-OD2 3.42Å; R637-D696 IonicContact NH2-OD2 3.83Å; R637-D696 PolarHBondContact NH2-OD2 2.8Å; D696-S698 WeakPolarHBondContact OD1-CA 3.27Å; D696-S698 PolarHBondContact OD1-N 2.73Å; D696-H700 WeakPolarHBondContact CA-O 3.3Å; D696-L701 HydrophobicContact CB-CD1 4.01Å |
| 697 | D | 88.2 | Confident | 89.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -102.8 | 6.3 | 178.7 | 61.3 | 41.8 | 0 | 0 | 0 | 112.7 | N587 P591 N632 L634 L699 H700 | N587-D697 PolarHBondContact ND2-O 2.79Å; N587-D697 PolarHBondContact ND2-OD1 3Å; N587-D697 PolarHBondContact OD1-OD1 3.47Å; P591-D697 WeakPolarHBondContact CD-OD2 3.21Å; P591-D697 HydrophobicContact CG-CB 3.86Å; P591-D697 WeakPolarHBondContact CG-OD2 3.46Å; N632-D697 HydrophobicContact CB-CB 4.29Å; L634-D697 HydrophobicContact CD2-CB 3.95Å; D697-L699 WeakPolarHBondContact OD1-CA 3.21Å; D697-L699 PolarHBondContact OD1-N 3.38Å; D697-H700 PolarHBondContact N-O 3.39Å; D697-H700 PolarHBondContact OD1-N 2.8Å; D697-H700 IonicContact OD1-ND1 3.39Å; D697-H700 WeakPolarHBondContact OD2-CB 3.3Å; D697-H700 IonicContact OD2-CG 2.8Å; D697-H700 PolarHBondContact OD2-N 3.12Å; D697-H700 IonicContact OD2-ND1 3.74Å; D697-H700 PolarHBondContact OD2-ND1 3.05Å | ||
| 698 | S | 82.7 | Confident | 90.1 | Very high | 107 Ų | 107 | 31.2 Ų | 31.2 | 75% | 0.748 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 88 | -9.9 | -167.1 | 78.3 | 0 | 0 | 0 | 0 | 117.5 | D696 | D696-S698 WeakPolarHBondContact OD1-CA 3.27Å; D696-S698 PolarHBondContact OD1-N 2.73Å |
| 699 | L | 83.5 | Confident | 90.2 | Very high | 118 Ų | 118 | 30.8 Ų | 30.8 | 62% | 0.618 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -129.8 | -49 | 175.8 | -175.6 | 64.2 | 0 | 0 | 0 | 112.9 | N587 D697 | N587-L699 HydrophobicContact CB-CD2 4.44Å; N587-L699 VanDerWaalsContact O-CD2 3.32Å; N587-L699 WeakPolarHBondContact O-CD2 3.48Å; D697-L699 WeakPolarHBondContact OD1-CA 3.21Å; D697-L699 PolarHBondContact OD1-N 3.38Å |
| 700 | H | 82.1 | Confident | 90.3 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | trans | -98.4 | 152.8 | 176.8 | -47.4 | 100.8 | 0 | 0 | 0 | 112.7 | N587 P590 D696 D697 | N587-H700 PolarHBondContact OD1-CE1 2.71Å; N587-H700 PolarHBondContact OD1-ND1 2.78Å; P590-H700 HydrophobicContact CB-CB 3.83Å; D696-H700 WeakPolarHBondContact CA-O 3.3Å; D697-H700 PolarHBondContact N-O 3.39Å; D697-H700 PolarHBondContact OD1-N 2.8Å; D697-H700 IonicContact OD1-ND1 3.39Å; D697-H700 WeakPolarHBondContact OD2-CB 3.3Å; D697-H700 IonicContact OD2-CG 2.8Å; D697-H700 PolarHBondContact OD2-N 3.12Å; D697-H700 IonicContact OD2-ND1 3.74Å; D697-H700 PolarHBondContact OD2-ND1 3.05Å | ||
| 701 | L | 86.7 | Confident | 90.2 | Very high | 37 Ų | 37 | 30.6 Ų | 30.6 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 105.6 | 175 | -177.2 | 71.6 | 0 | 0 | 0 | 109.7 | R637 M643 K647 C694 D696 | R637-L701 VanDerWaalsContact NH2-CD1 3.29Å; M643-L701 HydrophobicContact SD-CD2 4.2Å; K647-L701 PolarHBondContact NZ-O 2.89Å; C694-L701 HydrophobicContact CB-CD1 3.65Å; C694-L701 HydrophobicContact CB-CG 4.3Å; D696-L701 HydrophobicContact CB-CD1 4.01Å |
| 702 | T | 89.3 | Confident | 90 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 20% | 0.202 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 151.1 | 171.2 | 66 | 0 | 0 | 0 | 0 | 110 | P590 P591 C694 V695 | P590-T702 HydrophobicContact CB-CG2 3.77Å; P591-T702 VanDerWaalsContact O-CB 3.25Å; P591-T702 WeakPolarHBondContact O-CB 3.35Å; P591-T702 WeakPolarHBondContact O-CG2 3.34Å; P591-T702 PolarHBondContact O-OG1 3.32Å; C694-T702 CarbonylContact C-O 3.49Å; C694-T702 WeakPolarHBondContact CA-O 3.49Å; C694-T702 VanDerWaalsContact CB-O 3.3Å; C694-T702 WeakPolarHBondContact CB-O 3.17Å; V695-T702 PolarHBondContact N-O 2.77Å; V695-T702 PolarHBondContact O-N 3.35Å |
| 703 | C | 91.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 32.7 Ų | 32.7 | 22% | 0.216 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133 | -173.2 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | I644 C692 V693 C694 | I644-C703 HydrophobicContact CD1-CB 4.02Å; I644-C703 HydrophobicContact CG1-CB 3.89Å; C692-C703 HydrophobicContact CB-CB 4.35Å; V693-C703 CarbonylContact O-C 3.58Å; V693-C703 WeakPolarHBondContact O-CA 3.44Å; C694-C703 HydrophobicContact CB-CB 4.08Å; C694-C703 WeakPolarHBondContact CB-SG 3.46Å; C694-C703 WeakPolarHBondContact SG-CB 3.13Å; C694-C703 CovalentContact SG-SG 2.04Å; C694-C703 PolarHBondContact SG-SG 3.49Å |
| 704 | I | 92.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.6 | 177.2 | -155.8 | 57.9 | 0 | 0 | 0 | 111.3 | F593 L595 N596 Y598 C692 V693 | F593-I704 HydrophobicContact CB-CB 4.38Å; F593-I704 HydrophobicContact CB-CD1 4.33Å; F593-I704 HydrophobicContact CB-CG1 4.17Å; F593-I704 HydrophobicContact CD1-CB 4.06Å; F593-I704 HydrophobicContact CD1-CG2 3.73Å; F593-I704 HydrophobicContact CD2-CB 3.74Å; F593-I704 HydrophobicContact CD2-CG1 4.39Å; F593-I704 HydrophobicContact CD2-CG2 4.25Å; F593-I704 HydrophobicContact CE1-CB 4.22Å; F593-I704 HydrophobicContact CE1-CG2 3.63Å; F593-I704 HydrophobicContact CE2-CB 3.92Å; F593-I704 HydrophobicContact CE2-CG2 4.16Å; F593-I704 HydrophobicContact CG-CB 3.8Å; F593-I704 HydrophobicContact CG-CG1 4.14Å; F593-I704 HydrophobicContact CG-CG2 4.03Å; F593-I704 HydrophobicContact CZ-CB 4.14Å; F593-I704 HydrophobicContact CZ-CG2 3.85Å; L595-I704 WeakPolarHBondContact O-CD1 3.34Å; L595-I704 WeakPolarHBondContact O-CG1 3.35Å; N596-I704 WeakPolarHBondContact O-CD1 3.01Å; Y598-I704 HydrophobicContact CD2-CG1 4.08Å; Y598-I704 HydrophobicContact CD2-CG2 3.85Å; Y598-I704 HydrophobicContact CE2-CG1 4.01Å; Y598-I704 HydrophobicContact CE2-CG2 3.89Å; C692-I704 VanDerWaalsContact CA-O 3.27Å; C692-I704 WeakPolarHBondContact CA-O 3.49Å; V693-I704 HydrophobicContact CB-CG2 4.23Å; V693-I704 PolarHBondContact N-O 2.86Å; V693-I704 PolarHBondContact O-N 3Å |
| 705 | K | 91.7 | Very high | 89 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 29% | 0.287 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.1 | 176.9 | -177.9 | 171.7 | -178.1 | 168.6 | 0 | 110.7 | M597 Y598 I641 E690 L707 | M597-K705 VanDerWaalsContact CA-O 3.3Å; M597-K705 WeakPolarHBondContact CA-O 3.44Å; Y598-K705 PolarHBondContact N-O 3.43Å; I641-K705 HydrophobicContact CD1-CD 3.88Å; I641-K705 HydrophobicContact CD1-CG 4.19Å; E690-K705 VanDerWaalsContact OE2-CE 3.3Å; E690-K705 WeakPolarHBondContact OE2-CE 3.34Å; E690-K705 IonicContact OE2-NZ 3.79Å; E690-K705 PolarHBondContact OE2-NZ 3.25Å; K705-L707 VanDerWaalsContact CE-CD2 3.43Å |
| 706 | V | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.8 | 167.8 | -175 | 0 | 0 | 0 | 0 | 109.2 | Y598 Y600 I623 I675 F691 V693 I708 | Y598-V706 WeakPolarHBondContact O-CA 3.23Å; Y600-V706 HydrophobicContact CD2-CG1 3.89Å; Y600-V706 HydrophobicContact CE2-CG1 4.29Å; I623-V706 HydrophobicContact CD1-CG2 3.75Å; I675-V706 HydrophobicContact CD1-CG1 4.05Å; I675-V706 HydrophobicContact CD1-CG2 4.39Å; F691-V706 HydrophobicContact CD2-CB 4.26Å; F691-V706 HydrophobicContact CE2-CB 3.99Å; F691-V706 HydrophobicContact CE2-CG1 4.17Å; F691-V706 HydrophobicContact CE2-CG2 4.37Å; F691-V706 HydrophobicContact CZ-CB 4.33Å; F691-V706 HydrophobicContact CZ-CG1 4.08Å; F691-V706 PolarHBondContact N-O 3.4Å; F691-V706 PolarHBondContact O-N 2.81Å; V693-V706 HydrophobicContact CB-CG2 4.06Å; V693-V706 HydrophobicContact CG2-CG2 3.58Å; V706-I708 HydrophobicContact CG1-CD1 4.32Å; V706-I708 HydrophobicContact CG1-CG1 3.92Å |
| 707 | L | 93.9 | Very high | 88.8 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.9 | 164.5 | -69.5 | -178.2 | 0 | 0 | 0 | 109.1 | M597 Y598 H599 Y600 T688 E690 K705 | M597-L707 HydrophobicContact CE-CD1 3.76Å; M597-L707 HydrophobicContact CE-CG 4.37Å; Y598-L707 PolarHBondContact O-N 2.87Å; H599-L707 WeakPolarHBondContact CA-O 3.31Å; Y600-L707 PolarHBondContact N-O 3.47Å; T688-L707 HydrophobicContact CG2-CD2 4.21Å; E690-L707 HydrophobicContact CB-CD2 3.69Å; K705-L707 VanDerWaalsContact CE-CD2 3.43Å |
| 708 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 113.8 | 170.3 | -51.3 | -163.7 | 0 | 0 | 0 | 108.1 | Y600 V602 V612 F666 I675 T688 L689 F691 V706 | Y600-I708 WeakPolarHBondContact O-CA 3.19Å; V602-I708 HydrophobicContact CG1-CG2 3.78Å; V612-I708 HydrophobicContact CG1-CD1 4.11Å; V612-I708 HydrophobicContact CG2-CD1 4.39Å; F666-I708 HydrophobicContact CD1-CD1 4.05Å; F666-I708 HydrophobicContact CD2-CD1 4.4Å; F666-I708 HydrophobicContact CE1-CD1 3.69Å; F666-I708 HydrophobicContact CE1-CG2 4.33Å; F666-I708 HydrophobicContact CE2-CD1 4.05Å; F666-I708 HydrophobicContact CG-CD1 4.4Å; F666-I708 HydrophobicContact CZ-CB 4.18Å; F666-I708 HydrophobicContact CZ-CD1 3.7Å; F666-I708 HydrophobicContact CZ-CG1 4.42Å; F666-I708 HydrophobicContact CZ-CG2 3.94Å; I675-I708 HydrophobicContact CG2-CD1 4.2Å; T688-I708 WeakPolarHBondContact CA-O 3.37Å; L689-I708 PolarHBondContact N-O 3.05Å; L689-I708 PolarHBondContact O-N 2.98Å; F691-I708 HydrophobicContact CE1-CD1 3.79Å; F691-I708 HydrophobicContact CE1-CG1 4.01Å; F691-I708 HydrophobicContact CZ-CD1 3.6Å; F691-I708 HydrophobicContact CZ-CG1 4.15Å; V706-I708 HydrophobicContact CG1-CD1 4.32Å; V706-I708 HydrophobicContact CG1-CG1 3.92Å |
| 709 | D | 94.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139 | 168.8 | -70.6 | -40.7 | 0 | 0 | 0 | 109.4 | H599 Y600 H601 V602 T688 | H599-D709 IonicContact CD2-OD2 2.01Å; H599-D709 IonicContact CE1-OD2 3.68Å; H599-D709 PolarHBondContact CE1-OD2 3.02Å; H599-D709 IonicContact NE2-OD2 3.24Å; H599-D709 PolarHBondContact NE2-OD2 2.61Å; Y600-D709 PolarHBondContact O-N 3.06Å; H601-D709 VanDerWaalsContact CA-O 3.28Å; H601-D709 WeakPolarHBondContact CA-O 3.1Å; V602-D709 PolarHBondContact N-O 3.24Å; T688-D709 WeakPolarHBondContact CB-OD1 3.16Å; T688-D709 WeakPolarHBondContact CG2-OD1 3.45Å; T688-D709 PolarHBondContact OG1-OD1 3.01Å |
| 710 | L | 93.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.7 | 174.4 | -63.5 | -172.5 | 0 | 0 | 0 | 109.6 | V602 L681 R683 S687 L689 | V602-L710 HydrophobicContact CG1-CD2 3.68Å; V602-L710 WeakPolarHBondContact O-CA 3.39Å; L681-L710 HydrophobicContact CB-CD1 4.1Å; L681-L710 HydrophobicContact CB-CD2 4.23Å; L681-L710 HydrophobicContact CD1-CD2 3.86Å; L681-L710 HydrophobicContact CD2-CD2 4.36Å; L681-L710 HydrophobicContact CG-CD2 4.39Å; R683-L710 HydrophobicContact CB-CB 4.02Å; R683-L710 HydrophobicContact CB-CD1 4.48Å; R683-L710 HydrophobicContact CG-CB 4.01Å; S687-L710 PolarHBondContact O-N 2.81Å; L689-L710 HydrophobicContact CD1-CD1 4.12Å; L689-L710 HydrophobicContact CD1-CD2 4.1Å; L689-L710 HydrophobicContact CD1-CG 4.23Å |
| 711 | D | 89.7 | Confident | 89.9 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.5 | 175.7 | -65 | -59.1 | 0 | 0 | 0 | 110.4 | H601 V602 L603 E604 | H601-D711 WeakPolarHBondContact CB-OD2 3.13Å; H601-D711 IonicContact CD2-OD1 3.75Å; H601-D711 IonicContact CD2-OD2 3.52Å; H601-D711 PolarHBondContact CD2-OD2 2.95Å; H601-D711 IonicContact CG-OD2 3.91Å; V602-D711 PolarHBondContact N-OD2 2.89Å; V602-D711 PolarHBondContact O-N 2.74Å; L603-D711 HydrophobicContact CD2-CB 3.78Å; L603-D711 HydrophobicContact CG-CB 4.31Å; E604-D711 PolarHBondContact N-O 3.41Å |
| 712 | D | 86.9 | Confident | 90 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 136.5 | -164.4 | 173.2 | 81 | 0 | 0 | 0 | 115 | E604 R683 S749 N750 | E604-D712 WeakPolarHBondContact OE1-CA 3.24Å; R683-D712 IonicContact CZ-OD1 2.72Å; R683-D712 IonicContact NE-OD1 2.74Å; R683-D712 PolarHBondContact NE-OD1 3.08Å; R683-D712 IonicContact NH2-OD1 3.19Å; R683-D712 PolarHBondContact NH2-OD1 3.33Å; D712-S749 VanDerWaalsContact CG-CB 3.49Å; D712-S749 WeakPolarHBondContact OD1-CA 3.41Å; D712-S749 VanDerWaalsContact OD1-CB 3.26Å; D712-S749 WeakPolarHBondContact OD1-CB 3.4Å; D712-S749 PolarHBondContact OD1-N 3.24Å; D712-S749 VanDerWaalsContact OD2-C 3.28Å; D712-S749 VanDerWaalsContact OD2-O 3.07Å; D712-N750 PolarHBondContact OD2-ND2 2.81Å |
| 713 | I | 85.2 | Confident | 89.8 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | trans | -134.7 | 133.7 | 179.9 | -59.7 | -176.4 | 0 | 0 | 0 | 110.6 | L603 E604 N605 D715 | L603-I713 HydrophobicContact CB-CD1 4.19Å; L603-I713 HydrophobicContact CD2-CD1 3.98Å; L603-I713 HydrophobicContact CD2-CG1 4.09Å; E604-I713 HydrophobicContact CG-CB 4.25Å; E604-I713 HydrophobicContact CG-CD1 4.28Å; E604-I713 HydrophobicContact CG-CG1 4.22Å; E604-I713 PolarHBondContact OE1-N 2.76Å; N605-I713 HydrophobicContact CB-CD1 3.78Å; N605-I713 VanDerWaalsContact ND2-CD1 3.35Å; N605-I713 WeakPolarHBondContact ND2-CD1 3.24Å; N605-I713 VanDerWaalsContact OD1-CD1 3.3Å; N605-I713 WeakPolarHBondContact OD1-CD1 3.47Å; I713-D715 WeakPolarHBondContact O-CB 3.42Å; I713-D715 PolarHBondContact O-N 2.91Å | ||
| 714 | N | 85 | Confident | 89.8 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -65.7 | 99.8 | 175.6 | -167.3 | 43.2 | 0 | 0 | 0 | 111.6 | D748 D832 H834 Y843 | N714-D748 VanDerWaalsContact CA-OD2 3.24Å; N714-D748 WeakPolarHBondContact CA-OD2 3.45Å; N714-D748 PolarHBondContact OD1-OD2 3.2Å; N714-D832 VanDerWaalsContact ND2-CG 3.35Å; N714-D832 PolarHBondContact ND2-OD1 3.26Å; N714-D832 PolarHBondContact ND2-OD2 3.12Å; N714-D832 PolarHBondContact OD1-OD2 3.5Å; N714-H834 PolarHBondContact ND2-ND1 3.03Å; N714-H834 PolarHBondContact OD1-CE1 2.77Å; N714-H834 PolarHBondContact OD1-ND1 3.32Å; N714-H834 VanDerWaalsContact OD1-ND1 3.14Å; N714-Y843 PolarHBondContact ND2-O 2.7Å | ||
| 715 | D | 86.1 | Confident | 89.7 | Confident | 97 Ų | 97 | 47.4 Ų | 47.4 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | trans | -135.5 | -28.8 | -167.3 | 152.6 | -70 | 0 | 0 | 0 | 111.1 | I713 D748 L845 | I713-D715 WeakPolarHBondContact O-CB 3.42Å; I713-D715 PolarHBondContact O-N 2.91Å; D715-D748 PolarHBondContact N-OD2 2.72Å; D715-L845 VanDerWaalsContact C-CD1 3.44Å; D715-L845 WeakPolarHBondContact O-CD1 3.39Å | ||
| 716 | N | 86.7 | Confident | 89.7 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -97.9 | 119.4 | 176.3 | -64 | -90.5 | 0 | 0 | 0 | 111.6 | E684 L747 D748 | E684-N716 WeakPolarHBondContact CG-ND2 3.49Å; N716-L747 HydrophobicContact CB-CB 4.17Å; N716-L747 HydrophobicContact CB-CD1 4.49Å; N716-D748 VanDerWaalsContact CB-OD1 3.24Å; N716-D748 WeakPolarHBondContact CB-OD1 3.41Å; N716-D748 PolarHBondContact N-OD1 2.66Å; N716-D748 PolarHBondContact N-OD2 3.07Å; N716-D748 PolarHBondContact ND2-OD1 2.76Å |
| 717 | P | 88.1 | Confident | 89.6 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.5 | 178.1 | 27.9 | -33.9 | 0 | 0 | 0 | 111.4 | Q719 L845 | P717-Q719 PolarHBondContact O-N 2.81Å; P717-L845 HydrophobicContact CB-CB 4.11Å; P717-L845 HydrophobicContact CB-CD1 4.48Å |
| 718 | P | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 120.7 | -175.4 | 20.4 | -34.1 | 0 | 0 | 0 | 112.9 | V744 F754 V830 D832 S847 | P718-V744 HydrophobicContact CB-CG1 3.82Å; P718-F754 HydrophobicContact CB-CD1 4.04Å; P718-F754 HydrophobicContact CB-CE1 3.74Å; P718-V830 HydrophobicContact CB-CG1 4.16Å; P718-V830 HydrophobicContact CG-CG1 4.07Å; P718-D832 HydrophobicContact CG-CB 4.35Å; P718-S847 WeakPolarHBondContact O-CB 2.91Å |
| 719 | Q | 89.3 | Confident | 89.4 | Confident | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.7 | -168.1 | -168.3 | -178.9 | 11.6 | 0 | 0 | 112.8 | P717 V744 T745 | P717-Q719 PolarHBondContact O-N 2.81Å; Q719-V744 CarbonylContact O-C 3.57Å; Q719-V744 VanDerWaalsContact O-CA 3.25Å; Q719-V744 WeakPolarHBondContact O-CA 3.41Å; Q719-T745 PolarHBondContact N-O 3.21Å; Q719-T745 PolarHBondContact O-N 3.44Å |
| 720 | F | 91.6 | Very high | 89.1 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 149.1 | 167.6 | -71.6 | -84.9 | 0 | 0 | 0 | 111.6 | H722 F742 V744 F756 I828 V830 T849 | F720-H722 PolarHBondContact O-N 2.76Å; F720-H722 VanDerWaalsContact O-N 3.15Å; F720-F742 HydrophobicContact CD1-CB 4.3Å; F720-F742 HydrophobicContact CD1-CD1 4.46Å; F720-F742 HydrophobicContact CE1-CB 4.12Å; F720-F742 HydrophobicContact CE1-CD1 4.43Å; F720-F742 HydrophobicContact CE1-CG 4.33Å; F720-V744 HydrophobicContact CD1-CG2 3.49Å; F720-V744 VanDerWaalsContact CD1-CG2 3.49Å; F720-V744 HydrophobicContact CE1-CG2 3.62Å; F720-V744 HydrophobicContact CG-CG2 4.1Å; F720-V744 HydrophobicContact CZ-CG2 4.32Å; F720-F756 HydrophobicContact CE1-CD1 4.41Å; F720-F756 HydrophobicContact CE1-CE1 4.04Å; F720-I828 HydrophobicContact CE1-CG2 4.13Å; F720-I828 WeakPolarHBondContact CE2-O 3.42Å; F720-I828 HydrophobicContact CZ-CB 4.49Å; F720-I828 HydrophobicContact CZ-CG2 3.99Å; F720-I828 WeakPolarHBondContact CZ-O 3.07Å; F720-V830 HydrophobicContact CD2-CG1 4.12Å; F720-V830 HydrophobicContact CE1-CB 4.36Å; F720-V830 HydrophobicContact CE1-CG1 4.32Å; F720-V830 HydrophobicContact CE2-CB 4.03Å; F720-V830 HydrophobicContact CE2-CG1 3.44Å; F720-V830 VanDerWaalsContact CE2-CG1 3.44Å; F720-V830 HydrophobicContact CZ-CB 3.64Å; F720-V830 HydrophobicContact CZ-CG1 3.56Å; F720-T849 HydrophobicContact CD1-CG2 3.57Å; F720-T849 HydrophobicContact CD2-CG2 3.91Å; F720-T849 HydrophobicContact CE1-CG2 3.54Å; F720-T849 HydrophobicContact CE2-CG2 3.88Å; F720-T849 HydrophobicContact CG-CG2 3.76Å; F720-T849 HydrophobicContact CZ-CG2 3.7Å |
| 721 | Q | 87.9 | Confident | 88.9 | Confident | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -57.9 | -27.8 | 174.6 | -170.4 | -172.1 | -11.8 | 0 | 0 | 113.9 | I743 | Q721-I743 HydrophobicContact CB-CB 4.26Å; Q721-I743 PolarHBondContact N-O 3.24Å |
| 722 | H | 88.8 | Confident | 88.7 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | trans | -143.1 | 143.3 | 176.3 | -47.4 | 98.2 | 0 | 0 | 0 | 110.6 | F720 T724 Y725 T849 | F720-H722 PolarHBondContact O-N 2.76Å; F720-H722 VanDerWaalsContact O-N 3.15Å; H722-T724 VanDerWaalsContact C-N 3.3Å; H722-Y725 HydrophobicContact CB-CE1 4.19Å; H722-Y725 HydrophobicContact CB-CE2 4.15Å; H722-Y725 AromaticContact ND1-CD1 3.98Å; H722-Y725 AromaticContact ND1-CE1 3.22Å; H722-Y725 WeakPolarHBondContact ND1-CE1 3.36Å; H722-Y725 AromaticContact ND1-CZ 3.57Å; H722-Y725 WeakPolarHBondContact O-CE2 3.26Å; H722-T849 PolarHBondContact O-OG1 3.44Å | ||
| 723 | D | 85.6 | Confident | 88.6 | Confident | 130 Ų | 130 | 59.1 Ų | 59.1 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -70.9 | -27.2 | 176.7 | -54.3 | -34.8 | 0 | 0 | 0 | 112.5 | T849 E850 | D723-T849 PolarHBondContact O-OG1 3.37Å; D723-T849 VanDerWaalsContact O-OG1 3.12Å; D723-E850 PolarHBondContact O-N 2.8Å |
| 724 | T | 90 | Very high | 88.7 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.1 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | H722 I726 E850 F852 | H722-T724 VanDerWaalsContact C-N 3.3Å; T724-I726 HydrophobicContact CG2-CG1 4.23Å; T724-E850 CarbonylContact C-O 3.58Å; T724-E850 VanDerWaalsContact CA-O 3.28Å; T724-E850 WeakPolarHBondContact CA-O 3.49Å; T724-E850 HydrophobicContact CG2-CB 4.17Å; T724-E850 HydrophobicContact CG2-CG 4.37Å; T724-F852 HydrophobicContact CG2-CD2 3.66Å; T724-F852 HydrophobicContact CG2-CE2 3.82Å |
| 725 | Y | 90.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118 | 170.7 | -68.3 | -89.1 | 0 | 0 | 0 | 110.2 | H722 I740 F742 T849 E850 F852 | H722-Y725 HydrophobicContact CB-CE1 4.19Å; H722-Y725 HydrophobicContact CB-CE2 4.15Å; H722-Y725 AromaticContact ND1-CD1 3.98Å; H722-Y725 AromaticContact ND1-CE1 3.22Å; H722-Y725 WeakPolarHBondContact ND1-CE1 3.36Å; H722-Y725 AromaticContact ND1-CZ 3.57Å; H722-Y725 WeakPolarHBondContact O-CE2 3.26Å; Y725-I740 HydrophobicContact CD1-CD1 3.25Å; Y725-I740 HydrophobicContact CE1-CD1 3.72Å; Y725-I740 HydrophobicContact CG-CD1 3.98Å; Y725-F742 HydrophobicContact CD2-CD1 4.04Å; Y725-F742 AromaticContact CD2-CE1 3.74Å; Y725-F742 HydrophobicContact CD2-CE1 3.74Å; Y725-F742 AromaticContact CE2-CD1 3.71Å; Y725-F742 HydrophobicContact CE2-CD1 3.71Å; Y725-F742 AromaticContact CE2-CE1 3.92Å; Y725-F742 HydrophobicContact CE2-CE1 3.92Å; Y725-F742 HydrophobicContact CG-CE1 4.12Å; Y725-F742 AromaticContact CZ-CD1 3.96Å; Y725-T849 HydrophobicContact CD2-CG2 3.98Å; Y725-T849 WeakPolarHBondContact CD2-OG1 3.25Å; Y725-T849 HydrophobicContact CE2-CG2 3.89Å; Y725-T849 VanDerWaalsContact CE2-OG1 3.29Å; Y725-T849 WeakPolarHBondContact CE2-OG1 3.39Å; Y725-E850 PolarHBondContact N-O 3.42Å; Y725-F852 PolarHBondContact O-N 2.92Å |
| 726 | I | 91.4 | Very high | 88.5 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 56% | 0.564 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.1 | 174.4 | -55.9 | 178.9 | 0 | 0 | 0 | 108 | T724 | T724-I726 HydrophobicContact CG2-CG1 4.23Å |
| 727 | I | 91.4 | Very high | 88.5 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.4 | -170.9 | -57.1 | 175.5 | 0 | 0 | 0 | 108.4 | L729 I739 I740 V851 F852 I853 H854 | I727-L729 HydrophobicContact CG2-CD2 4.16Å; I727-L729 HydrophobicContact CG2-CG 4.15Å; I727-I739 HydrophobicContact CD1-CG2 4.2Å; I727-I739 HydrophobicContact CG2-CG2 3.5Å; I727-I739 VanDerWaalsContact CG2-CG2 3.5Å; I727-I740 HydrophobicContact CD1-CB 4.13Å; I727-I740 HydrophobicContact CD1-CD1 4.22Å; I727-I740 HydrophobicContact CD1-CG2 3.72Å; I727-V851 HydrophobicContact CD1-CG1 3.94Å; I727-F852 PolarHBondContact N-O 2.89Å; I727-I853 HydrophobicContact CB-CG1 4.23Å; I727-I853 HydrophobicContact CD1-CG1 4.4Å; I727-I853 WeakPolarHBondContact O-CA 3.35Å; I727-H854 PolarHBondContact O-N 3.5Å |
| 728 | H | 91.9 | Very high | 88.5 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.2 | 174.3 | -75.3 | -94.5 | 0 | 0 | 0 | 109.8 | H854 N856 | H728-H854 AromaticContact CE1-CD2 3.74Å; H728-H854 AromaticContact CE1-CG 3.95Å; H728-H854 AromaticContact NE2-CD2 3.67Å; H728-N856 PolarHBondContact ND1-OD1 3.02Å |
| 729 | L | 92.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.1 | 174.8 | -61.3 | 179.7 | 0 | 0 | 0 | 108.7 | I727 Y735 I739 F803 L816 I853 H854 V855 N856 | I727-L729 HydrophobicContact CG2-CD2 4.16Å; I727-L729 HydrophobicContact CG2-CG 4.15Å; L729-Y735 HydrophobicContact CB-CE2 4.29Å; L729-Y735 HydrophobicContact CD2-CD1 4.19Å; L729-Y735 HydrophobicContact CD2-CD2 4.38Å; L729-Y735 HydrophobicContact CD2-CE1 3.67Å; L729-Y735 HydrophobicContact CD2-CE2 3.92Å; L729-I739 HydrophobicContact CD1-CD1 4.1Å; L729-I739 HydrophobicContact CD1-CG1 4.37Å; L729-I739 HydrophobicContact CD1-CG2 4.39Å; L729-I739 HydrophobicContact CD2-CG1 4.46Å; L729-I739 HydrophobicContact CD2-CG2 3.88Å; L729-F803 HydrophobicContact CD1-CE1 4.41Å; L729-L816 HydrophobicContact CB-CD1 4.29Å; L729-L816 HydrophobicContact CD1-CD1 3.79Å; L729-I853 HydrophobicContact CD1-CG2 3.67Å; L729-I853 HydrophobicContact CG-CG2 4.02Å; L729-H854 PolarHBondContact N-O 3.11Å; L729-V855 CarbonylContact O-C 3.58Å; L729-V855 WeakPolarHBondContact O-CA 3.21Å; L729-N856 PolarHBondContact O-N 2.87Å |
| 730 | D | 89.5 | Confident | 88.7 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143.4 | 172.4 | -35.2 | -56.6 | 0 | 0 | 0 | 108.9 | K733 Y735 N856 I858 | D730-K733 HydrophobicContact CB-CD 3.89Å; D730-K733 WeakPolarHBondContact O-CB 3.43Å; D730-K733 WeakPolarHBondContact OD2-CD 3.23Å; D730-K733 IonicContact OD2-NZ 2.85Å; D730-K733 PolarHBondContact OD2-NZ 2.73Å; D730-Y735 PolarHBondContact N-OH 2.77Å; D730-N856 PolarHBondContact OD1-ND2 3.24Å; D730-I858 HydrophobicContact CB-CD1 4.17Å |
| 731 | E | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 172.8 | 175.9 | 67.5 | -163.7 | 125.7 | 0 | 0 | 113.3 | K733 L816 R818 V855 N856 D857 I858 | E731-K733 WeakPolarHBondContact O-CB 3.4Å; E731-K733 PolarHBondContact O-N 2.77Å; E731-L816 WeakPolarHBondContact CA-O 3.38Å; E731-L816 WeakPolarHBondContact CB-O 3.33Å; E731-R818 VanDerWaalsContact CD-CB 3.47Å; E731-R818 WeakPolarHBondContact OE1-CB 3.33Å; E731-R818 WeakPolarHBondContact OE2-CB 3.43Å; E731-R818 PolarHBondContact OE2-N 3.25Å; E731-V855 HydrophobicContact CB-CG1 3.63Å; E731-N856 PolarHBondContact N-O 3.38Å; E731-D857 VanDerWaalsContact OE1-CA 3.3Å; E731-D857 WeakPolarHBondContact OE1-CA 3.17Å; E731-I858 HydrophobicContact CG-CB 3.88Å; E731-I858 HydrophobicContact CG-CD1 3.92Å; E731-I858 HydrophobicContact CG-CG1 3.88Å; E731-I858 WeakPolarHBondContact O-CD1 3.31Å; E731-I858 PolarHBondContact OE1-N 3.36Å |
| 732 | N | 85.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 8.9 | -179.3 | -80.8 | -68 | 0 | 0 | 0 | 115.2 | V815 L816 D860 | N732-V815 VanDerWaalsContact C-CG1 3.44Å; N732-L816 PolarHBondContact N-O 3.49Å; N732-D860 VanDerWaalsContact ND2-CG 3.31Å; N732-D860 PolarHBondContact ND2-OD2 3.47Å |
| 733 | K | 85.7 | Confident | 88.9 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | trans | -116.5 | 120.4 | -167.1 | -173.3 | 172.8 | 176.5 | 172.2 | 0 | 112 | D730 E731 Y735 | D730-K733 HydrophobicContact CB-CD 3.89Å; D730-K733 WeakPolarHBondContact O-CB 3.43Å; D730-K733 WeakPolarHBondContact OD2-CD 3.23Å; D730-K733 IonicContact OD2-NZ 2.85Å; D730-K733 PolarHBondContact OD2-NZ 2.73Å; E731-K733 WeakPolarHBondContact O-CB 3.4Å; E731-K733 PolarHBondContact O-N 2.77Å; K733-Y735 HydrophobicContact CB-CE2 4Å; K733-Y735 HydrophobicContact CD-CE2 3.91Å; K733-Y735 HydrophobicContact CG-CD2 4.32Å; K733-Y735 HydrophobicContact CG-CE2 3.72Å; K733-Y735 VanDerWaalsContact O-CD2 3.29Å; K733-Y735 WeakPolarHBondContact O-CD2 3.48Å | ||
| 734 | Q | 85.4 | Confident | 89 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | trans | -84.4 | 128.6 | 176.1 | -170.8 | 64.3 | 40.4 | 0 | 0 | 111.7 | Y736 L812 V815 | Q734-Y736 HydrophobicContact CB-CE2 4.5Å; Q734-Y736 HydrophobicContact CG-CD1 4.28Å; Q734-Y736 HydrophobicContact CG-CE1 3.8Å; Q734-Y736 HydrophobicContact CG-CE2 4.38Å; Q734-L812 PolarHBondContact NE2-O 3.44Å; Q734-V815 HydrophobicContact CB-CG2 4.46Å; Q734-V815 VanDerWaalsContact OE1-CG2 3.31Å | ||
| 735 | Y | 84.3 | Confident | 89 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | trans | -103.2 | 112.4 | 176.7 | -70.3 | -108.2 | 0 | 0 | 0 | 110.2 | L729 D730 K733 L812 | L729-Y735 HydrophobicContact CB-CE2 4.29Å; L729-Y735 HydrophobicContact CD2-CD1 4.19Å; L729-Y735 HydrophobicContact CD2-CD2 4.38Å; L729-Y735 HydrophobicContact CD2-CE1 3.67Å; L729-Y735 HydrophobicContact CD2-CE2 3.92Å; D730-Y735 PolarHBondContact N-OH 2.77Å; K733-Y735 HydrophobicContact CB-CE2 4Å; K733-Y735 HydrophobicContact CD-CE2 3.91Å; K733-Y735 HydrophobicContact CG-CD2 4.32Å; K733-Y735 HydrophobicContact CG-CE2 3.72Å; K733-Y735 VanDerWaalsContact O-CD2 3.29Å; K733-Y735 WeakPolarHBondContact O-CD2 3.48Å; Y735-L812 HydrophobicContact CD2-CD2 3.88Å | ||
| 736 | Y | 83.3 | Confident | 88.9 | Confident | 206 Ų | 206 | 66.2 Ų | 66.2 | 81% | 0.808 | 32% | 0.319 | S | S | * | . | trans | -89.7 | -5.8 | -178.8 | -61.4 | -70.6 | 0 | 0 | 0 | 114.7 | Q734 | Q734-Y736 HydrophobicContact CB-CE2 4.5Å; Q734-Y736 HydrophobicContact CG-CD1 4.28Å; Q734-Y736 HydrophobicContact CG-CE1 3.8Å; Q734-Y736 HydrophobicContact CG-CE2 4.38Å | ||
| 737 | K | 86.3 | Confident | 88.8 | Confident | 169 Ų | 169 | 65.5 Ų | 65.5 | 74% | 0.735 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -107.8 | 162.5 | 173 | -72.9 | -174.6 | 179.4 | -177.2 | 0 | 108.6 | I739 | K737-I739 PolarHBondContact O-N 2.85Š|
| 738 | P | 89.2 | Confident | 88.6 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 24% | 0.24 | 32% | 0.315 | C | S | . | . | trans | -55.1 | 134.7 | 166.5 | 24.9 | -33.2 | 0 | 0 | 0 | 109.4 | I740 I741 L810 Y811 | P738-I740 VanDerWaalsContact C-N 3.28Å; P738-I741 HydrophobicContact CB-CG1 4.08Å; P738-I741 HydrophobicContact CG-CD1 3.95Å; P738-I741 HydrophobicContact CG-CG1 3.79Å; P738-L810 CarbonylContact C-O 3.59Å; P738-L810 WeakPolarHBondContact CA-O 3.23Å; P738-Y811 HydrophobicContact CB-CD1 4.38Å; P738-Y811 HydrophobicContact CB-CD2 4.41Å; P738-Y811 HydrophobicContact CB-CE1 4.02Å; P738-Y811 HydrophobicContact CB-CE2 4.02Å; P738-Y811 HydrophobicContact CG-CE1 4.3Å | ||
| 739 | I | 91.9 | Very high | 87.9 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -58.9 | -46.3 | 173.5 | -62.9 | 158.4 | 0 | 0 | 0 | 109.3 | I727 L729 K737 F803 L810 L812 | I727-I739 HydrophobicContact CD1-CG2 4.2Å; I727-I739 HydrophobicContact CG2-CG2 3.5Å; I727-I739 VanDerWaalsContact CG2-CG2 3.5Å; L729-I739 HydrophobicContact CD1-CD1 4.1Å; L729-I739 HydrophobicContact CD1-CG1 4.37Å; L729-I739 HydrophobicContact CD1-CG2 4.39Å; L729-I739 HydrophobicContact CD2-CG1 4.46Å; L729-I739 HydrophobicContact CD2-CG2 3.88Å; K737-I739 PolarHBondContact O-N 2.85Å; I739-F803 HydrophobicContact CD1-CD1 3.96Å; I739-F803 HydrophobicContact CD1-CE1 4.1Å; I739-L810 HydrophobicContact CD1-CD2 4.21Å; I739-L810 HydrophobicContact CD1-CG 4.28Å; I739-L810 PolarHBondContact N-O 3.45Å; I739-L812 HydrophobicContact CD1-CB 4.03Å; I739-L812 HydrophobicContact CD1-CD1 4.5Å; I739-L812 HydrophobicContact CG1-CB 4.4Å |
| 740 | I | 90.6 | Very high | 86.9 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.5 | 176.3 | -167.8 | 160.3 | 0 | 0 | 0 | 109.3 | Y725 I727 P738 F742 L810 | Y725-I740 HydrophobicContact CD1-CD1 3.25Å; Y725-I740 HydrophobicContact CE1-CD1 3.72Å; Y725-I740 HydrophobicContact CG-CD1 3.98Å; I727-I740 HydrophobicContact CD1-CB 4.13Å; I727-I740 HydrophobicContact CD1-CD1 4.22Å; I727-I740 HydrophobicContact CD1-CG2 3.72Å; P738-I740 VanDerWaalsContact C-N 3.28Å; I740-F742 HydrophobicContact CG2-CE1 3.98Å; I740-F742 HydrophobicContact CG2-CE2 4.05Å; I740-F742 HydrophobicContact CG2-CZ 3.63Å; I740-L810 HydrophobicContact CG2-CB 3.82Å; I740-L810 HydrophobicContact CG2-CD2 4.15Å; I740-L810 PolarHBondContact O-N 3.07Å |
| 741 | I | 91.5 | Very high | 86.3 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.1 | 171.8 | -61.1 | 177 | 0 | 0 | 0 | 106.3 | P738 I743 N808 | P738-I741 HydrophobicContact CB-CG1 4.08Å; P738-I741 HydrophobicContact CG-CD1 3.95Å; P738-I741 HydrophobicContact CG-CG1 3.79Å; I741-I743 PolarHBondContact O-N 3.17Å; I741-N808 VanDerWaalsContact CG2-ND2 3.26Å; I741-N808 WeakPolarHBondContact CG2-ND2 3.47Å |
| 742 | F | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -76.6 | 120.7 | 179.8 | -62.5 | -70.5 | 0 | 0 | 0 | 110.1 | F720 Y725 I740 F756 L805 N808 L810 I828 T849 V851 | F720-F742 HydrophobicContact CD1-CB 4.3Å; F720-F742 HydrophobicContact CD1-CD1 4.46Å; F720-F742 HydrophobicContact CE1-CB 4.12Å; F720-F742 HydrophobicContact CE1-CD1 4.43Å; F720-F742 HydrophobicContact CE1-CG 4.33Å; Y725-F742 HydrophobicContact CD2-CD1 4.04Å; Y725-F742 AromaticContact CD2-CE1 3.74Å; Y725-F742 HydrophobicContact CD2-CE1 3.74Å; Y725-F742 AromaticContact CE2-CD1 3.71Å; Y725-F742 HydrophobicContact CE2-CD1 3.71Å; Y725-F742 AromaticContact CE2-CE1 3.92Å; Y725-F742 HydrophobicContact CE2-CE1 3.92Å; Y725-F742 HydrophobicContact CG-CE1 4.12Å; Y725-F742 AromaticContact CZ-CD1 3.96Å; I740-F742 HydrophobicContact CG2-CE1 3.98Å; I740-F742 HydrophobicContact CG2-CE2 4.05Å; I740-F742 HydrophobicContact CG2-CZ 3.63Å; F742-F756 HydrophobicContact CB-CE1 4.11Å; F742-L805 HydrophobicContact CD2-CD1 4.06Å; F742-L805 HydrophobicContact CE2-CD1 3.85Å; F742-N808 WeakPolarHBondContact CD2-O 3.43Å; F742-N808 PolarHBondContact N-O 2.87Å; F742-N808 WeakPolarHBondContact O-CB 3.14Å; F742-N808 PolarHBondContact O-ND2 2.9Å; F742-L810 HydrophobicContact CE2-CB 4.01Å; F742-L810 HydrophobicContact CZ-CB 4.49Å; F742-I828 HydrophobicContact CD2-CG2 4.22Å; F742-I828 HydrophobicContact CE1-CG1 4.46Å; F742-I828 HydrophobicContact CE2-CB 4.45Å; F742-I828 HydrophobicContact CE2-CD1 4.34Å; F742-I828 HydrophobicContact CE2-CG1 3.83Å; F742-I828 HydrophobicContact CE2-CG2 4.2Å; F742-I828 HydrophobicContact CZ-CB 4.44Å; F742-I828 HydrophobicContact CZ-CG1 3.73Å; F742-T849 HydrophobicContact CD1-CG2 4.36Å; F742-T849 HydrophobicContact CE1-CG2 4.31Å; F742-V851 HydrophobicContact CE1-CG2 4.09Å; F742-V851 HydrophobicContact CZ-CG2 3.95Å | ||
| 743 | I | 89.4 | Confident | 85.6 | Confident | 91 Ų | 91 | 70.5 Ų | 70.5 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | trans | -90 | 124.1 | 169.5 | -63.2 | -179.6 | 0 | 0 | 0 | 107.4 | Q721 I741 | Q721-I743 HydrophobicContact CB-CB 4.26Å; Q721-I743 PolarHBondContact N-O 3.24Å; I741-I743 PolarHBondContact O-N 3.17Å | ||
| 744 | V | 88.8 | Confident | 85.8 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.8 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 108 | P718 Q719 F720 F754 F756 V830 | P718-V744 HydrophobicContact CB-CG1 3.82Å; Q719-V744 CarbonylContact O-C 3.57Å; Q719-V744 VanDerWaalsContact O-CA 3.25Å; Q719-V744 WeakPolarHBondContact O-CA 3.41Å; F720-V744 HydrophobicContact CD1-CG2 3.49Å; F720-V744 VanDerWaalsContact CD1-CG2 3.49Å; F720-V744 HydrophobicContact CE1-CG2 3.62Å; F720-V744 HydrophobicContact CG-CG2 4.1Å; F720-V744 HydrophobicContact CZ-CG2 4.32Å; V744-F754 HydrophobicContact CB-CD2 4.31Å; V744-F754 HydrophobicContact CB-CE2 4.31Å; V744-F754 HydrophobicContact CG1-CD1 3.96Å; V744-F754 HydrophobicContact CG1-CD2 4.26Å; V744-F754 HydrophobicContact CG1-CE1 3.84Å; V744-F754 HydrophobicContact CG1-CE2 4.14Å; V744-F754 HydrophobicContact CG1-CG 4.18Å; V744-F754 HydrophobicContact CG1-CZ 3.93Å; V744-F756 HydrophobicContact CB-CZ 4.25Å; V744-F756 HydrophobicContact CG2-CE1 3.57Å; V744-F756 HydrophobicContact CG2-CZ 3.75Å; V744-V830 HydrophobicContact CG1-CG1 3.99Å; V744-V830 HydrophobicContact CG1-CG2 4.17Å; V744-V830 HydrophobicContact CG2-CB 4.36Å; V744-V830 HydrophobicContact CG2-CG1 4.1Å; V744-V830 HydrophobicContact CG2-CG2 4.24Å |
| 745 | T | 88.8 | Confident | 85.9 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.8 | 175.9 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | Q719 | Q719-T745 PolarHBondContact N-O 3.21Å; Q719-T745 PolarHBondContact O-N 3.44Å |
| 746 | D | 89.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | trans | -100.5 | 157.4 | 166 | -139.9 | -43.9 | 0 | 0 | 0 | 109.9 | D748 N751 F754 | D746-D748 PolarHBondContact OD1-N 3.34Å; D746-N751 PolarHBondContact OD2-ND2 2.6Å; D746-F754 HydrophobicContact CB-CE1 4.04Å; D746-F754 HydrophobicContact CB-CZ 3.98Å | ||
| 747 | L | 88.3 | Confident | 86.4 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | trans | -101.8 | -28 | 169.7 | -58.2 | -178 | 0 | 0 | 0 | 111.2 | R683 E684 N716 | R683-L747 PolarHBondContact NH2-O 3.04Å; E684-L747 HydrophobicContact CB-CB 4.31Å; E684-L747 HydrophobicContact CG-CB 3.52Å; N716-L747 HydrophobicContact CB-CB 4.17Å; N716-L747 HydrophobicContact CB-CD1 4.49Å | ||
| 748 | D | 87.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -71.1 | 149.4 | -177 | -61.5 | -3.6 | 0 | 0 | 0 | 110.5 | N714 D715 N716 D746 | N714-D748 VanDerWaalsContact CA-OD2 3.24Å; N714-D748 WeakPolarHBondContact CA-OD2 3.45Å; N714-D748 PolarHBondContact OD1-OD2 3.2Å; D715-D748 PolarHBondContact N-OD2 2.72Å; N716-D748 VanDerWaalsContact CB-OD1 3.24Å; N716-D748 WeakPolarHBondContact CB-OD1 3.41Å; N716-D748 PolarHBondContact N-OD1 2.66Å; N716-D748 PolarHBondContact N-OD2 3.07Å; N716-D748 PolarHBondContact ND2-OD1 2.76Å; D746-D748 PolarHBondContact OD1-N 3.34Å |
| 749 | S | 76.9 | Confident | 86.2 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -85.8 | 178.1 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | R683 D712 N751 H834 | R683-S749 PolarHBondContact NH1-OG 3.24Å; R683-S749 PolarHBondContact NH2-OG 3.32Å; R683-S749 VanDerWaalsContact NH2-OG 3.07Å; D712-S749 VanDerWaalsContact CG-CB 3.49Å; D712-S749 WeakPolarHBondContact OD1-CA 3.41Å; D712-S749 VanDerWaalsContact OD1-CB 3.26Å; D712-S749 WeakPolarHBondContact OD1-CB 3.4Å; D712-S749 PolarHBondContact OD1-N 3.24Å; D712-S749 VanDerWaalsContact OD2-C 3.28Å; D712-S749 VanDerWaalsContact OD2-O 3.07Å; S749-N751 PolarHBondContact O-N 3.02Å; S749-H834 PolarHBondContact O-NE2 3.49Å; S749-H834 VanDerWaalsContact O-NE2 3.16Å |
| 750 | N | 72.5 | Confident | 85.1 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 61.4 | -10.1 | 175.7 | -55.1 | -63.2 | 0 | 0 | 0 | 117.1 | D712 K752 | D712-N750 PolarHBondContact OD2-ND2 2.81Å; N750-K752 WeakPolarHBondContact O-CG 3.16Å; N750-K752 PolarHBondContact O-N 2.83Å |
| 751 | N | 76.6 | Confident | 83.6 | Confident | 35 Ų | 35 | 59 Ų | 59 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | trans | -54.3 | 122.6 | 173.2 | -171.6 | -12.2 | 0 | 0 | 0 | 110.5 | D746 S749 G753 F754 D832 V833 H834 | D746-N751 PolarHBondContact OD2-ND2 2.6Å; S749-N751 PolarHBondContact O-N 3.02Å; N751-G753 PolarHBondContact OD1-N 2.95Å; N751-G753 PolarHBondContact OD1-O 2.72Å; N751-F754 VanDerWaalsContact ND2-CE1 3.32Å; N751-F754 WeakPolarHBondContact ND2-CE1 3.42Å; N751-D832 WeakPolarHBondContact ND2-CB 3.26Å; N751-V833 PolarHBondContact OD1-N 3.21Å; N751-H834 WeakPolarHBondContact CA-NE2 3.47Å; N751-H834 WeakPolarHBondContact CB-NE2 3.16Å; N751-H834 PolarHBondContact N-NE2 3.14Å | ||
| 752 | K | 76.4 | Confident | 81.5 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | trans | -91.7 | -2.7 | -176.7 | -62.1 | -167 | 170.2 | -177.2 | 0 | 114.1 | N750 V833 N835 | N750-K752 WeakPolarHBondContact O-CG 3.16Å; N750-K752 PolarHBondContact O-N 2.83Å; K752-V833 WeakPolarHBondContact CB-O 3.4Å; K752-V833 PolarHBondContact N-O 3.24Å; K752-N835 HydrophobicContact CD-CB 4.13Å; K752-N835 WeakPolarHBondContact CE-OD1 3.47Å; K752-N835 VanDerWaalsContact NZ-CG 3.31Å; K752-N835 PolarHBondContact NZ-OD1 2.88Å | ||
| 753 | G | 83.4 | Confident | 79 | Confident | 28 Ų | 28 | 66 Ų | 66 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | 145.7 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N751 V833 | N751-G753 PolarHBondContact OD1-N 2.95Å; N751-G753 PolarHBondContact OD1-O 2.72Å; G753-V833 WeakPolarHBondContact O-CB 3.05Å; G753-V833 WeakPolarHBondContact O-CG2 3.28Å; G753-V833 PolarHBondContact O-N 2.78Å | ||
| 754 | F | 88.7 | Confident | 76.4 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | trans | -109.7 | 138.8 | -173.9 | -58.4 | -60.9 | 0 | 0 | 0 | 112.2 | P718 V744 D746 N751 F756 V830 Q831 | P718-F754 HydrophobicContact CB-CD1 4.04Å; P718-F754 HydrophobicContact CB-CE1 3.74Å; V744-F754 HydrophobicContact CB-CD2 4.31Å; V744-F754 HydrophobicContact CB-CE2 4.31Å; V744-F754 HydrophobicContact CG1-CD1 3.96Å; V744-F754 HydrophobicContact CG1-CD2 4.26Å; V744-F754 HydrophobicContact CG1-CE1 3.84Å; V744-F754 HydrophobicContact CG1-CE2 4.14Å; V744-F754 HydrophobicContact CG1-CG 4.18Å; V744-F754 HydrophobicContact CG1-CZ 3.93Å; D746-F754 HydrophobicContact CB-CE1 4.04Å; D746-F754 HydrophobicContact CB-CZ 3.98Å; N751-F754 VanDerWaalsContact ND2-CE1 3.32Å; N751-F754 WeakPolarHBondContact ND2-CE1 3.42Å; F754-F756 HydrophobicContact CB-CD2 4.23Å; F754-F756 HydrophobicContact CB-CE2 3.56Å; F754-F756 HydrophobicContact CB-CZ 4.02Å; F754-V830 HydrophobicContact CB-CG2 3.66Å; F754-V830 HydrophobicContact CD1-CG2 4.14Å; F754-V830 HydrophobicContact CG-CG2 4.13Å; F754-Q831 WeakPolarHBondContact CA-O 3.48Å | ||
| 755 | K | 88 | Confident | 73.5 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.1 | 173.5 | 179.8 | -175.1 | 170.7 | -162.2 | 0 | 109.5 | V830 Q831 V833 | K755-V830 WeakPolarHBondContact O-CA 3.32Å; K755-Q831 HydrophobicContact CB-CB 4.41Å; K755-Q831 PolarHBondContact N-O 2.73Å; K755-Q831 PolarHBondContact O-N 3.24Å; K755-V833 HydrophobicContact CB-CG2 4.44Å |
| 756 | F | 90.8 | Very high | 70.6 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.3 | -177 | -64.3 | -97.7 | 0 | 0 | 0 | 112.1 | F720 F742 V744 F754 L805 D807 N808 I828 Q829 V830 | F720-F756 HydrophobicContact CE1-CD1 4.41Å; F720-F756 HydrophobicContact CE1-CE1 4.04Å; F742-F756 HydrophobicContact CB-CE1 4.11Å; V744-F756 HydrophobicContact CB-CZ 4.25Å; V744-F756 HydrophobicContact CG2-CE1 3.57Å; V744-F756 HydrophobicContact CG2-CZ 3.75Å; F754-F756 HydrophobicContact CB-CD2 4.23Å; F754-F756 HydrophobicContact CB-CE2 3.56Å; F754-F756 HydrophobicContact CB-CZ 4.02Å; F756-L805 HydrophobicContact CB-CD2 3.61Å; F756-L805 HydrophobicContact CB-CG 4.33Å; F756-D807 VanDerWaalsContact CD2-O 3.26Å; F756-D807 WeakPolarHBondContact CD2-O 3.44Å; F756-N808 HydrophobicContact CD2-CB 4.21Å; F756-N808 HydrophobicContact CE1-CB 4.15Å; F756-N808 HydrophobicContact CE2-CB 3.6Å; F756-N808 HydrophobicContact CZ-CB 3.57Å; F756-I828 HydrophobicContact CD1-CG2 4.25Å; F756-Q829 CarbonylContact C-O 3.42Å; F756-Q829 WeakPolarHBondContact CA-O 3.41Å; F756-V830 HydrophobicContact CD1-CB 3.97Å; F756-V830 HydrophobicContact CD1-CG2 3.85Å; F756-V830 HydrophobicContact CD2-CG2 4.37Å; F756-V830 HydrophobicContact CE1-CB 3.99Å; F756-V830 HydrophobicContact CE1-CG2 3.68Å; F756-V830 HydrophobicContact CE2-CG2 4.2Å; F756-V830 HydrophobicContact CG-CG2 4.2Å; F756-V830 HydrophobicContact CZ-CG2 3.86Å |
| 757 | N | 87 | Confident | 67.7 | Low | 53 Ų | 53 | 81.4 Ų | 81.4 | 28% | 0.283 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.8 | 174.4 | -54.7 | -49.5 | 0 | 0 | 0 | 110.6 | I828 Q829 | N757-I828 WeakPolarHBondContact O-CA 3.26Å; N757-Q829 HydrophobicContact CB-CB 4.44Å; N757-Q829 PolarHBondContact N-O 2.89Å; N757-Q829 PolarHBondContact ND2-OE1 3.07Å; N757-Q829 PolarHBondContact O-N 3.2Å |
| 758 | I | 88.3 | Confident | 64.9 | Low | 40 Ų | 40 | 82.7 Ų | 82.7 | 21% | 0.205 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.9 | 162.5 | -51.5 | -178.9 | 0 | 0 | 0 | 108.2 | L760 I799 L805 F826 I828 | I758-L760 HydrophobicContact CG2-CD1 4.33Å; I758-I799 HydrophobicContact CG2-CG2 4.08Å; I758-L805 HydrophobicContact CD1-CB 4.07Å; I758-L805 HydrophobicContact CG1-CB 3.89Å; I758-L805 HydrophobicContact CG1-CD2 4.07Å; I758-F826 HydrophobicContact CG2-CB 4.44Å; I758-F826 HydrophobicContact CG2-CD2 3.95Å; I758-F826 HydrophobicContact CG2-CG 4.38Å; I758-I828 HydrophobicContact CB-CD1 4.3Å; I758-I828 HydrophobicContact CG1-CD1 3.8Å; I758-I828 HydrophobicContact CG2-CD1 4.36Å |
| 759 | L | 82.4 | Confident | 62 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 149.9 | 168 | -62.9 | -175.8 | 0 | 0 | 0 | 109.8 | Y827 Q829 | L759-Y827 PolarHBondContact N-O 3.5Å; L759-Y827 PolarHBondContact O-N 3.45Å; L759-Q829 HydrophobicContact CD1-CB 3.73Å; L759-Q829 HydrophobicContact CD1-CG 4.19Å; L759-Q829 HydrophobicContact CG-CB 3.9Å |
| 760 | L | 69.7 | Low | 59.6 | Low | 34 Ų | 34 | 90.6 Ų | 90.6 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | trans | -116.1 | 153.6 | 174.4 | -71.5 | 84 | 0 | 0 | 0 | 109.8 | I758 S762 N795 Q796 I799 | I758-L760 HydrophobicContact CG2-CD1 4.33Å; L760-S762 PolarHBondContact O-N 2.63Å; L760-N795 HydrophobicContact CD2-CB 4.18Å; L760-N795 WeakPolarHBondContact CD2-O 3.16Å; L760-Q796 HydrophobicContact CD1-CG 4Å; L760-Q796 HydrophobicContact CD2-CB 4.5Å; L760-Q796 HydrophobicContact CD2-CG 4.14Å; L760-I799 HydrophobicContact CD2-CB 3.99Å; L760-I799 HydrophobicContact CD2-CG1 3.55Å; L760-I799 HydrophobicContact CG-CB 4.37Å; L760-I799 HydrophobicContact CG-CG1 4.04Å | ||
| 761 | D | 59.1 | Low | 57.5 | Low | 47 Ų | 47 | 94.2 Ų | 94.2 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | trans | -70.2 | 92.2 | 173.4 | -171.8 | -3.6 | 0 | 0 | 0 | 110.7 | N763 K764 H825 Y827 | D761-N763 PolarHBondContact O-N 3.01Å; D761-N763 WeakPolarHBondContact OD1-CA 3.17Å; D761-N763 PolarHBondContact OD1-N 3.24Å; D761-K764 PolarHBondContact OD1-N 2.99Å; D761-K764 WeakPolarHBondContact OD2-CB 3.25Å; D761-H825 IonicContact OD2-CE1 3.23Å; D761-Y827 HydrophobicContact CB-CE2 4.22Å | ||
| 762 | S | 47.5 | Very low | 55.1 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.4 | 172 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | L760 | L760-S762 PolarHBondContact O-N 2.63Š|
| 763 | N | 38.2 | Very low | 52.8 | Low | 153 Ų | 153 | 100.4 Ų | 100.4 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 7.1 | -167.3 | -69.5 | -47.9 | 0 | 0 | 0 | 114.2 | D761 | D761-N763 PolarHBondContact O-N 3.01Å; D761-N763 WeakPolarHBondContact OD1-CA 3.17Å; D761-N763 PolarHBondContact OD1-N 3.24Å |
| 764 | K | 35.3 | Very low | 50.2 | Low | 145 Ų | 145 | 105.7 Ų | 105.7 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -127.1 | 116.3 | 178.9 | -155.4 | 171.6 | -170.1 | 177.1 | 0 | 110.9 | D761 | D761-K764 PolarHBondContact OD1-N 2.99Å; D761-K764 WeakPolarHBondContact OD2-CB 3.25Å |
| 765 | P | 29 | Very low | 47.3 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 69% | 0.688 | 58% | 0.581 | S | S | * | * | trans | -66.9 | 148.4 | -179.3 | 28.9 | -34.7 | 0 | 0 | 0 | 110.4 | E767 | P765-E767 PolarHBondContact O-N 3.19Š| ||
| 766 | P | 26.9 | Very low | 44.5 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | trans | -66.9 | 119.4 | 176.1 | 27.6 | -33.4 | 0 | 0 | 0 | 110.1 | I768 | P766-I768 HydrophobicContact CB-CG1 4.3Å; P766-I768 HydrophobicContact CG-CG1 4.37Å; P766-I768 PolarHBondContact O-N 2.79Å | ||
| 767 | E | 29.4 | Very low | 41.6 | Very low | 197 Ų | 197 | 118 Ų | 118 | 92% | 0.921 | 63% | 0.634 | S | S | * | * | trans | -74.3 | 94.6 | 162.7 | -75.6 | -166.4 | 131.6 | 0 | 0 | 108.4 | P765 S769 | P765-E767 PolarHBondContact O-N 3.19Å; E767-S769 PolarHBondContact O-N 2.91Å | ||
| 768 | I | 29.3 | Very low | 38.8 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | trans | -71.4 | 107.5 | -176 | -60.1 | 168.3 | 0 | 0 | 0 | 109.5 | P766 T770 | P766-I768 HydrophobicContact CB-CG1 4.3Å; P766-I768 HydrophobicContact CG-CG1 4.37Å; P766-I768 PolarHBondContact O-N 2.79Å; I768-T770 HydrophobicContact CG2-CG2 3.38Å; I768-T770 WeakPolarHBondContact CG2-OG1 3.3Å; I768-T770 PolarHBondContact O-N 3.49Å | ||
| 769 | S | 26.8 | Very low | 36 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 68% | 0.681 | S | S | * | * | trans | -78.4 | 59 | 171.9 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | E767 | E767-S769 PolarHBondContact O-N 2.91Š| ||
| 770 | T | 25.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | trans | -95.2 | 117.8 | 174.3 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | I768 | I768-T770 HydrophobicContact CG2-CG2 3.38Å; I768-T770 WeakPolarHBondContact CG2-OG1 3.3Å; I768-T770 PolarHBondContact O-N 3.49Å | ||
| 771 | Q | 28.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -129 | 92.2 | 144.1 | -65.1 | -172.1 | -0.5 | 0 | 0 | 106.1 | ||||
| 772 | Q | 27 | Very low | 30.3 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | 51.3 | 97.2 | 96.4 | -69.4 | -163.6 | -74.7 | 0 | 0 | 113.9 | |||||
| 773 | N | 28.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -163.4 | 111.4 | 96.5 | -77.1 | -41.8 | 0 | 0 | 0 | 107.4 | |||||
| 774 | D | 28.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 64.4 | 83.6 | 67 | -151.9 | 11.8 | 0 | 0 | 0 | 113.7 | |||||
| 775 | S | 28.8 | Very low | 28.9 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 176.2 | 91.8 | 143 | -82.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 776 | L | 29.4 | Very low | 28.9 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | 173.6 | 130.8 | 120.1 | -94.5 | 158.7 | 0 | 0 | 0 | 112.1 | |||||
| 777 | K | 28.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 155 Ų | 155 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -96.2 | 175 | 173.5 | -65.2 | 174.8 | -179.5 | 172 | 0 | 110.2 | ||||
| 778 | Q | 28.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 95.9 | 135.1 | 176.5 | -55.4 | 172.9 | -0.9 | 0 | 0 | 112.7 | ||||
| 779 | F | 29.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | cis | -142.3 | 160.5 | 16.6 | -99.9 | -65.7 | 0 | 0 | 0 | 114.9 | ||||
| 780 | N | 31.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 104.8 | 147.7 | -63.9 | -18.1 | 0 | 0 | 0 | 122.4 | ||||
| 781 | H | 29.4 | Very low | 30.1 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -36.2 | 137.5 | 152.6 | -71 | -108.1 | 0 | 0 | 0 | 115.8 | ||||
| 782 | S | 31.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -174.2 | 35 | 130.7 | 45.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 783 | K | 31.8 | Very low | 31.1 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -163.1 | 94.8 | 164.6 | -113.1 | 171.3 | -176.7 | 178.7 | 0 | 110.6 | ||||
| 784 | F | 29.3 | Very low | 32 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -154.7 | 83.5 | -178.8 | -135 | -85.3 | 0 | 0 | 0 | 113 | S787 | F784-S787 WeakPolarHBondContact CE1-OG 3.4Š| ||
| 785 | Q | 29.7 | Very low | 33 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 93% | 0.93 | 71% | 0.708 | S | S | * | * | trans | -156.8 | 47.8 | 173.5 | -149.7 | 167.6 | 4 | 0 | 0 | 114 | ||||
| 786 | K | 29.9 | Very low | 34.1 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 81% | 0.809 | 69% | 0.692 | S | S | * | * | trans | -160.5 | 84.9 | 163.8 | -136 | -168.9 | -178.1 | -158.4 | 0 | 110 | ||||
| 787 | S | 32.3 | Very low | 35.7 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 39% | 0.392 | 67% | 0.673 | S | S | . | * | trans | -159.2 | 49.3 | -166.3 | 66.1 | 0 | 0 | 0 | 0 | 115.7 | F784 | F784-S787 WeakPolarHBondContact CE1-OG 3.4Š| ||
| 788 | I | 33.3 | Very low | 37.8 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -136.1 | 28.6 | 167.8 | -35.1 | 179.7 | 0 | 0 | 0 | 112.1 | ||
| 789 | E | 32.3 | Very low | 40.4 | Very low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -133.3 | 11.4 | 171.7 | -67.9 | 175.5 | 141.7 | 0 | 0 | 111.1 | N791 H793 | E789-N791 PolarHBondContact O-N 3.26Å; E789-H793 PolarHBondContact O-ND1 2.85Å; E789-H793 VanDerWaalsContact O-ND1 3.14Å |
| 790 | L | 34 | Very low | 42.8 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | 73 | -169.2 | -63.6 | 176.5 | 0 | 0 | 0 | 111.7 | H793 | L790-H793 HydrophobicContact CD2-CB 3.96Š|
| 791 | N | 31.6 | Very low | 45.3 | Very low | 143 Ų | 143 | 116.1 Ų | 116.1 | 77% | 0.765 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | -22.1 | 162.5 | -101.2 | -20.8 | 0 | 0 | 0 | 114.3 | E789 S794 | E789-N791 PolarHBondContact O-N 3.26Å; N791-S794 PolarHBondContact O-OG 3.24Å |
| 792 | E | 36.2 | Very low | 48.1 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -40.1 | 162 | -64.8 | 176.5 | 161.8 | 0 | 0 | 110.4 | S794 N795 Q796 | E792-S794 PolarHBondContact O-N 3.2Å; E792-S794 VanDerWaalsContact O-N 3.13Å; E792-N795 PolarHBondContact O-N 3.01Å; E792-Q796 PolarHBondContact O-N 2.79Å |
| 793 | H | 38.8 | Very low | 51 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 39% | 0.389 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -21.7 | 177 | -79.7 | 82.9 | 0 | 0 | 0 | 114.2 | E789 L790 N797 | E789-H793 PolarHBondContact O-ND1 2.85Å; E789-H793 VanDerWaalsContact O-ND1 3.14Å; L790-H793 HydrophobicContact CD2-CB 3.96Å; H793-N797 WeakPolarHBondContact O-CB 3.31Å; H793-N797 PolarHBondContact O-N 3.17Å; H793-N797 PolarHBondContact O-ND2 3.39Å |
| 794 | S | 48 | Very low | 53.8 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 179.5 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | N791 E792 N797 L798 | N791-S794 PolarHBondContact O-OG 3.24Å; E792-S794 PolarHBondContact O-N 3.2Å; E792-S794 VanDerWaalsContact O-N 3.13Å; S794-N797 PolarHBondContact O-N 3.27Å; S794-L798 WeakPolarHBondContact O-CB 3.48Å; S794-L798 PolarHBondContact O-N 3.21Å |
| 795 | N | 49.7 | Very low | 56.6 | Low | 59 Ų | 59 | 86.4 Ų | 86.4 | 32% | 0.316 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 176.2 | -82 | -21.2 | 0 | 0 | 0 | 112 | L760 E792 N797 L798 I799 | L760-N795 HydrophobicContact CD2-CB 4.18Å; L760-N795 WeakPolarHBondContact CD2-O 3.16Å; E792-N795 PolarHBondContact O-N 3.01Å; N795-N797 PolarHBondContact O-N 2.84Å; N795-L798 WeakPolarHBondContact O-CB 3.21Å; N795-L798 PolarHBondContact O-N 2.84Å; N795-I799 PolarHBondContact O-N 3.42Å |
| 796 | Q | 51.7 | Low | 59.4 | Low | 92 Ų | 92 | 84.1 Ų | 84.1 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.2 | -90.3 | 178.6 | -11.7 | 0 | 0 | 112.4 | L760 E792 L798 T800 | L760-Q796 HydrophobicContact CD1-CG 4Å; L760-Q796 HydrophobicContact CD2-CB 4.5Å; L760-Q796 HydrophobicContact CD2-CG 4.14Å; E792-Q796 PolarHBondContact O-N 2.79Å; Q796-L798 VanDerWaalsContact C-N 3.28Å; Q796-L798 PolarHBondContact O-N 2.8Å; Q796-T800 WeakPolarHBondContact O-CB 3.12Å; Q796-T800 WeakPolarHBondContact O-CG2 3.38Å; Q796-T800 PolarHBondContact O-N 3.12Å; Q796-T800 PolarHBondContact O-OG1 3.05Å |
| 797 | N | 61.3 | Low | 61.9 | Low | 100 Ų | 100 | 82.2 Ų | 82.2 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 173.4 | -76 | -56.7 | 0 | 0 | 0 | 112.5 | H793 S794 N795 T800 K801 | H793-N797 WeakPolarHBondContact O-CB 3.31Å; H793-N797 PolarHBondContact O-N 3.17Å; H793-N797 PolarHBondContact O-ND2 3.39Å; S794-N797 PolarHBondContact O-N 3.27Å; N795-N797 PolarHBondContact O-N 2.84Å; N797-T800 WeakPolarHBondContact CA-OG1 3.15Å; N797-T800 PolarHBondContact O-OG1 3.15Å; N797-K801 WeakPolarHBondContact O-CB 3.28Å; N797-K801 PolarHBondContact O-N 3.11Å |
| 798 | L | 73.8 | Confident | 64.6 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.9 | -52.5 | 178.6 | -105.9 | 160.7 | 0 | 0 | 0 | 112.7 | S794 N795 Q796 T800 K801 Y802 | S794-L798 WeakPolarHBondContact O-CB 3.48Å; S794-L798 PolarHBondContact O-N 3.21Å; N795-L798 WeakPolarHBondContact O-CB 3.21Å; N795-L798 PolarHBondContact O-N 2.84Å; Q796-L798 VanDerWaalsContact C-N 3.28Å; Q796-L798 PolarHBondContact O-N 2.8Å; L798-T800 PolarHBondContact O-N 3.09Å; L798-K801 WeakPolarHBondContact O-CB 3.04Å; L798-K801 PolarHBondContact O-N 2.69Å; L798-Y802 HydrophobicContact CD2-CD2 4.49Å; L798-Y802 HydrophobicContact CD2-CE2 3.91Å; L798-Y802 VanDerWaalsContact O-CD2 3.31Å; L798-Y802 WeakPolarHBondContact O-CD2 3.43Å |
| 799 | I | 82.5 | Confident | 67.3 | Low | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 179 | -59.9 | -54.2 | 0 | 0 | 0 | 110.8 | I758 L760 N795 K801 Y802 F803 Y824 F826 | I758-I799 HydrophobicContact CG2-CG2 4.08Å; L760-I799 HydrophobicContact CD2-CB 3.99Å; L760-I799 HydrophobicContact CD2-CG1 3.55Å; L760-I799 HydrophobicContact CG-CB 4.37Å; L760-I799 HydrophobicContact CG-CG1 4.04Å; N795-I799 PolarHBondContact O-N 3.42Å; I799-K801 VanDerWaalsContact C-N 3.31Å; I799-K801 PolarHBondContact O-N 3.33Å; I799-Y802 PolarHBondContact O-N 2.65Å; I799-F803 HydrophobicContact CG2-CD2 4.35Å; I799-F803 PolarHBondContact O-N 2.9Å; I799-Y824 HydrophobicContact CD1-CD1 4.1Å; I799-F826 HydrophobicContact CD1-CD1 3.94Å; I799-F826 HydrophobicContact CG1-CB 4.43Å; I799-F826 HydrophobicContact CG1-CD1 4.39Å; I799-F826 HydrophobicContact CG2-CB 4.25Å; I799-F826 HydrophobicContact CG2-CD1 3.75Å; I799-F826 HydrophobicContact CG2-CE1 4.21Å; I799-F826 HydrophobicContact CG2-CG 3.94Å |
| 800 | T | 80.5 | Confident | 70.2 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.1 | -17.3 | 179.2 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | Q796 N797 L798 | Q796-T800 WeakPolarHBondContact O-CB 3.12Å; Q796-T800 WeakPolarHBondContact O-CG2 3.38Å; Q796-T800 PolarHBondContact O-N 3.12Å; Q796-T800 PolarHBondContact O-OG1 3.05Å; N797-T800 WeakPolarHBondContact CA-OG1 3.15Å; N797-T800 PolarHBondContact O-OG1 3.15Å; L798-T800 PolarHBondContact O-N 3.09Å |
| 801 | K | 83.6 | Confident | 73 | Confident | 91 Ų | 91 | 66 Ų | 66 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 169.4 | 171.5 | -171.7 | 173.5 | -164.3 | 0 | 111.8 | N797 L798 I799 N814 E820 | N797-K801 WeakPolarHBondContact O-CB 3.28Å; N797-K801 PolarHBondContact O-N 3.11Å; L798-K801 WeakPolarHBondContact O-CB 3.04Å; L798-K801 PolarHBondContact O-N 2.69Å; I799-K801 VanDerWaalsContact C-N 3.31Å; I799-K801 PolarHBondContact O-N 3.33Å; K801-N814 PolarHBondContact O-ND2 3.18Å; K801-E820 IonicContact NZ-OE1 3.64Å |
| 802 | Y | 88.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -99.9 | -33.1 | -175.1 | -64.3 | -80.8 | 0 | 0 | 0 | 113.6 | L798 I799 Q813 N814 V815 L816 E820 Y824 | L798-Y802 HydrophobicContact CD2-CD2 4.49Å; L798-Y802 HydrophobicContact CD2-CE2 3.91Å; L798-Y802 VanDerWaalsContact O-CD2 3.31Å; L798-Y802 WeakPolarHBondContact O-CD2 3.43Å; I799-Y802 PolarHBondContact O-N 2.65Å; Y802-Q813 PolarHBondContact O-N 3Å; Y802-N814 HydrophobicContact CD1-CB 3.95Å; Y802-N814 HydrophobicContact CE1-CB 4.34Å; Y802-V815 WeakPolarHBondContact CE1-O 3.47Å; Y802-L816 HydrophobicContact CD1-CD2 3.5Å; Y802-L816 HydrophobicContact CE1-CD2 4.21Å; Y802-L816 HydrophobicContact CG-CD2 3.9Å; Y802-E820 PolarHBondContact OH-OE1 2.83Å; Y802-E820 PolarHBondContact OH-OE2 3.17Å; Y802-Y824 AromaticContact CD2-CE1 3.63Å; Y802-Y824 HydrophobicContact CD2-CE1 3.63Å; Y802-Y824 AromaticContact CE2-CE1 3.99Å; Y802-Y824 HydrophobicContact CE2-CE1 3.99Å; Y802-Y824 HydrophobicContact CG-CE1 4.17Å |
| 803 | F | 91.1 | Very high | 78.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.5 | -172.1 | -53.8 | -73.6 | 0 | 0 | 0 | 112.4 | L729 I739 I799 L810 Y811 L812 L816 Y824 F826 I853 | L729-F803 HydrophobicContact CD1-CE1 4.41Å; I739-F803 HydrophobicContact CD1-CD1 3.96Å; I739-F803 HydrophobicContact CD1-CE1 4.1Å; I799-F803 HydrophobicContact CG2-CD2 4.35Å; I799-F803 PolarHBondContact O-N 2.9Å; F803-L810 HydrophobicContact CB-CD1 4.24Å; F803-Y811 WeakPolarHBondContact CA-O 3.39Å; F803-L812 HydrophobicContact CD1-CD1 4.03Å; F803-L812 HydrophobicContact CE1-CD1 3.56Å; F803-L812 HydrophobicContact CZ-CD1 4.28Å; F803-L816 HydrophobicContact CE1-CD1 4.38Å; F803-L816 HydrophobicContact CZ-CD1 4.01Å; F803-L816 HydrophobicContact CZ-CD2 3.96Å; F803-Y824 AromaticContact CE2-CD1 3.65Å; F803-Y824 HydrophobicContact CE2-CD1 3.65Å; F803-Y824 HydrophobicContact CE2-CD2 4.14Å; F803-Y824 HydrophobicContact CE2-CE1 4.14Å; F803-Y824 AromaticContact CE2-CG 3.63Å; F803-Y824 HydrophobicContact CE2-CG 3.63Å; F803-Y824 HydrophobicContact CZ-CD1 4.42Å; F803-Y824 HydrophobicContact CZ-CD2 4.13Å; F803-Y824 HydrophobicContact CZ-CG 4.06Å; F803-F826 AromaticContact CD2-CE1 3.89Å; F803-F826 HydrophobicContact CD2-CE1 3.89Å; F803-F826 HydrophobicContact CD2-CZ 4.44Å; F803-F826 HydrophobicContact CE2-CE1 4.26Å; F803-F826 HydrophobicContact CG-CE1 4.25Å; F803-F826 HydrophobicContact CG-CZ 4.34Å; F803-I853 HydrophobicContact CD1-CD1 3.78Å; F803-I853 HydrophobicContact CE1-CD1 3.32Å; F803-I853 HydrophobicContact CE1-CG2 4.48Å; F803-I853 HydrophobicContact CE2-CD1 4.2Å; F803-I853 HydrophobicContact CG-CD1 4.39Å; F803-I853 HydrophobicContact CZ-CD1 3.57Å; F803-I853 HydrophobicContact CZ-CG2 4.23Å |
| 804 | T | 90.3 | Very high | 80.5 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 134.8 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | Y811 Q813 | T804-Y811 PolarHBondContact N-O 3.29Å; T804-Y811 PolarHBondContact O-N 3.12Å; T804-Q813 VanDerWaalsContact CB-NE2 3.32Å; T804-Q813 HydrophobicContact CG2-CG 3.56Å; T804-Q813 PolarHBondContact OG1-NE2 2.81Å |
| 805 | L | 89.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 179.1 | -163 | 65 | 0 | 0 | 0 | 108.3 | F742 F756 I758 L810 I828 | F742-L805 HydrophobicContact CD2-CD1 4.06Å; F742-L805 HydrophobicContact CE2-CD1 3.85Å; F756-L805 HydrophobicContact CB-CD2 3.61Å; F756-L805 HydrophobicContact CB-CG 4.33Å; I758-L805 HydrophobicContact CD1-CB 4.07Å; I758-L805 HydrophobicContact CG1-CB 3.89Å; I758-L805 HydrophobicContact CG1-CD2 4.07Å; L805-L810 HydrophobicContact CD1-CB 4.42Å; L805-L810 HydrophobicContact CD1-CD1 4.2Å; L805-I828 HydrophobicContact CD1-CD1 4.22Å; L805-I828 HydrophobicContact CD2-CD1 3.98Å; L805-I828 HydrophobicContact CD2-CG2 4.13Å |
| 806 | R | 87.3 | Confident | 84.4 | Confident | 151 Ų | 151 | 54.2 Ų | 54.2 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.8 | 175.4 | -61.9 | -179.3 | -179.5 | 179.7 | 0.7 | 108 | N808 G809 Y811 | R806-N808 PolarHBondContact O-N 2.76Å; R806-N808 VanDerWaalsContact O-N 3.08Å; R806-G809 PolarHBondContact N-O 3.19Å; R806-G809 PolarHBondContact O-N 2.87Å; R806-Y811 HydrophobicContact CB-CD2 4.19Å; R806-Y811 HydrophobicContact CB-CE2 3.89Å; R806-Y811 HydrophobicContact CG-CD2 4.28Å; R806-Y811 HydrophobicContact CG-CE2 4.39Å |
| 807 | D | 82.5 | Confident | 86.2 | Confident | 146 Ų | 146 | 52.9 Ų | 52.9 | 78% | 0.781 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | -111.7 | -168.3 | -47.5 | -46.6 | 0 | 0 | 0 | 109.4 | F756 | F756-D807 VanDerWaalsContact CD2-O 3.26Å; F756-D807 WeakPolarHBondContact CD2-O 3.44Å |
| 808 | N | 89.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 32% | 0.316 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 7.5 | 171.9 | 68.9 | -23.1 | 0 | 0 | 0 | 114.5 | I741 F742 F756 R806 | I741-N808 VanDerWaalsContact CG2-ND2 3.26Å; I741-N808 WeakPolarHBondContact CG2-ND2 3.47Å; F742-N808 WeakPolarHBondContact CD2-O 3.43Å; F742-N808 PolarHBondContact N-O 2.87Å; F742-N808 WeakPolarHBondContact O-CB 3.14Å; F742-N808 PolarHBondContact O-ND2 2.9Å; F756-N808 HydrophobicContact CD2-CB 4.21Å; F756-N808 HydrophobicContact CE1-CB 4.15Å; F756-N808 HydrophobicContact CE2-CB 3.6Å; F756-N808 HydrophobicContact CZ-CB 3.57Å; R806-N808 PolarHBondContact O-N 2.76Å; R806-N808 VanDerWaalsContact O-N 3.08Å |
| 809 | G | 90.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R806 Y811 | R806-G809 PolarHBondContact N-O 3.19Å; R806-G809 PolarHBondContact O-N 2.87Å; G809-Y811 VanDerWaalsContact O-CD2 3.28Å; G809-Y811 WeakPolarHBondContact O-CD2 3.24Å; G809-Y811 WeakPolarHBondContact O-CE2 3.28Å |
| 810 | L | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128 | 170.9 | -171.2 | 74.3 | 0 | 0 | 0 | 110.1 | P738 I739 I740 F742 F803 L805 F826 I853 | P738-L810 CarbonylContact C-O 3.59Å; P738-L810 WeakPolarHBondContact CA-O 3.23Å; I739-L810 HydrophobicContact CD1-CD2 4.21Å; I739-L810 HydrophobicContact CD1-CG 4.28Å; I739-L810 PolarHBondContact N-O 3.45Å; I740-L810 HydrophobicContact CG2-CB 3.82Å; I740-L810 HydrophobicContact CG2-CD2 4.15Å; I740-L810 PolarHBondContact O-N 3.07Å; F742-L810 HydrophobicContact CE2-CB 4.01Å; F742-L810 HydrophobicContact CZ-CB 4.49Å; F803-L810 HydrophobicContact CB-CD1 4.24Å; L805-L810 HydrophobicContact CD1-CB 4.42Å; L805-L810 HydrophobicContact CD1-CD1 4.2Å; L810-F826 HydrophobicContact CD1-CE2 4.29Å; L810-F826 HydrophobicContact CD1-CZ 4.3Å; L810-F826 HydrophobicContact CD2-CE2 4.45Å; L810-F826 HydrophobicContact CD2-CZ 4.01Å; L810-I853 HydrophobicContact CD2-CD1 4.06Å |
| 811 | Y | 91.5 | Very high | 88.8 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.6 | -177.6 | -66.1 | -101.4 | 0 | 0 | 0 | 111.8 | P738 F803 T804 R806 G809 | P738-Y811 HydrophobicContact CB-CD1 4.38Å; P738-Y811 HydrophobicContact CB-CD2 4.41Å; P738-Y811 HydrophobicContact CB-CE1 4.02Å; P738-Y811 HydrophobicContact CB-CE2 4.02Å; P738-Y811 HydrophobicContact CG-CE1 4.3Å; F803-Y811 WeakPolarHBondContact CA-O 3.39Å; T804-Y811 PolarHBondContact N-O 3.29Å; T804-Y811 PolarHBondContact O-N 3.12Å; R806-Y811 HydrophobicContact CB-CD2 4.19Å; R806-Y811 HydrophobicContact CB-CE2 3.89Å; R806-Y811 HydrophobicContact CG-CD2 4.28Å; R806-Y811 HydrophobicContact CG-CE2 4.39Å; G809-Y811 VanDerWaalsContact O-CD2 3.28Å; G809-Y811 WeakPolarHBondContact O-CD2 3.24Å; G809-Y811 WeakPolarHBondContact O-CE2 3.28Å |
| 812 | L | 92.5 | Very high | 89 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.8 | 170.5 | -164.6 | 69 | 0 | 0 | 0 | 110 | Q734 Y735 I739 F803 N814 L816 | Q734-L812 PolarHBondContact NE2-O 3.44Å; Y735-L812 HydrophobicContact CD2-CD2 3.88Å; I739-L812 HydrophobicContact CD1-CB 4.03Å; I739-L812 HydrophobicContact CD1-CD1 4.5Å; I739-L812 HydrophobicContact CG1-CB 4.4Å; F803-L812 HydrophobicContact CD1-CD1 4.03Å; F803-L812 HydrophobicContact CE1-CD1 3.56Å; F803-L812 HydrophobicContact CZ-CD1 4.28Å; L812-N814 VanDerWaalsContact CD1-O 3.32Å; L812-N814 WeakPolarHBondContact CD1-O 3.18Å; L812-N814 WeakPolarHBondContact CG-O 3.47Å; L812-L816 HydrophobicContact CD1-CD1 4.18Å; L812-L816 HydrophobicContact CD1-CD2 3.79Å; L812-L816 HydrophobicContact CD1-CG 3.84Å |
| 813 | Q | 86.5 | Confident | 89 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | trans | -81.2 | -49.1 | 172.9 | -70.5 | -157.4 | 1 | 0 | 0 | 112 | Y802 T804 | Y802-Q813 PolarHBondContact O-N 3Å; T804-Q813 VanDerWaalsContact CB-NE2 3.32Å; T804-Q813 HydrophobicContact CG2-CG 3.56Å; T804-Q813 PolarHBondContact OG1-NE2 2.81Å | ||
| 814 | N | 86.4 | Confident | 88.9 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -124.2 | 146.4 | -176.3 | -74.2 | -67.9 | 0 | 0 | 0 | 110 | K801 Y802 L812 | K801-N814 PolarHBondContact O-ND2 3.18Å; Y802-N814 HydrophobicContact CD1-CB 3.95Å; Y802-N814 HydrophobicContact CE1-CB 4.34Å; L812-N814 VanDerWaalsContact CD1-O 3.32Å; L812-N814 WeakPolarHBondContact CD1-O 3.18Å; L812-N814 WeakPolarHBondContact CG-O 3.47Å |
| 815 | V | 88.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | trans | -54.1 | 143.2 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | N732 Q734 Y802 | N732-V815 VanDerWaalsContact C-CG1 3.44Å; Q734-V815 HydrophobicContact CB-CG2 4.46Å; Q734-V815 VanDerWaalsContact OE1-CG2 3.31Å; Y802-V815 WeakPolarHBondContact CE1-O 3.47Å | ||
| 816 | L | 91.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -93.7 | 151.6 | 175.9 | -54.6 | -174.7 | 0 | 0 | 0 | 111 | L729 E731 N732 Y802 F803 L812 Y824 I853 V855 | L729-L816 HydrophobicContact CB-CD1 4.29Å; L729-L816 HydrophobicContact CD1-CD1 3.79Å; E731-L816 WeakPolarHBondContact CA-O 3.38Å; E731-L816 WeakPolarHBondContact CB-O 3.33Å; N732-L816 PolarHBondContact N-O 3.49Å; Y802-L816 HydrophobicContact CD1-CD2 3.5Å; Y802-L816 HydrophobicContact CE1-CD2 4.21Å; Y802-L816 HydrophobicContact CG-CD2 3.9Å; F803-L816 HydrophobicContact CE1-CD1 4.38Å; F803-L816 HydrophobicContact CZ-CD1 4.01Å; F803-L816 HydrophobicContact CZ-CD2 3.96Å; L812-L816 HydrophobicContact CD1-CD1 4.18Å; L812-L816 HydrophobicContact CD1-CD2 3.79Å; L812-L816 HydrophobicContact CD1-CG 3.84Å; L816-Y824 HydrophobicContact CD1-CE2 4.22Å; L816-Y824 HydrophobicContact CD2-CE2 3.89Å; L816-I853 HydrophobicContact CD1-CG2 4.29Å; L816-V855 HydrophobicContact CB-CG1 4.23Å; L816-V855 HydrophobicContact CB-CG2 4.22Å; L816-V855 HydrophobicContact CD1-CG2 3.91Å | ||
| 817 | D | 90.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 34% | 0.342 | 26% | 0.257 | S | S | . | . | trans | -135.4 | 123.6 | -177.8 | 167.9 | -28.1 | 0 | 0 | 0 | 105.4 | E819 E820 R821 | D817-E819 PolarHBondContact OD1-N 3.18Å; D817-E820 HydrophobicContact CB-CB 4.07Å; D817-E820 WeakPolarHBondContact OD1-CB 3.42Å; D817-E820 PolarHBondContact OD1-N 3.05Å; D817-R821 CarbonylContact O-C 3.6Å; D817-R821 PolarHBondContact O-N 3.16Å | ||
| 818 | R | 91.4 | Very high | 89.3 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.5 | -27.3 | -172.4 | -174.8 | -134.5 | 60.8 | 135.7 | 14.7 | 111.4 | E731 R821 A822 V855 D857 P898 L900 | E731-R818 VanDerWaalsContact CD-CB 3.47Å; E731-R818 WeakPolarHBondContact OE1-CB 3.33Å; E731-R818 WeakPolarHBondContact OE2-CB 3.43Å; E731-R818 PolarHBondContact OE2-N 3.25Å; R818-R821 CarbonylContact O-C 3.59Å; R818-R821 PolarHBondContact O-N 3.35Å; R818-A822 HydrophobicContact CG-CB 3.83Å; R818-A822 PolarHBondContact O-N 3.33Å; R818-V855 HydrophobicContact CB-CB 4.16Å; R818-V855 HydrophobicContact CB-CG1 3.81Å; R818-V855 HydrophobicContact CG-CB 4.24Å; R818-V855 HydrophobicContact CG-CG1 4.34Å; R818-D857 VanDerWaalsContact CD-OD1 3.26Å; R818-D857 WeakPolarHBondContact CD-OD1 3.49Å; R818-D857 IonicContact CZ-OD1 2.72Å; R818-D857 IonicContact NE-OD1 2.85Å; R818-D857 PolarHBondContact NE-OD1 2.79Å; R818-D857 IonicContact NH1-OD1 2.89Å; R818-D857 PolarHBondContact NH1-OD1 3.41Å; R818-P898 PolarHBondContact NH2-O 3.4Å; R818-L900 VanDerWaalsContact NH1-CB 3.29Å; R818-L900 VanDerWaalsContact NH1-CG 3.26Å |
| 819 | E | 89.3 | Confident | 89.4 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 29% | 0.29 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72 | -39.1 | 174.5 | -68.3 | 69.7 | -98.7 | 0 | 0 | 111.1 | D817 N861 P898 | D817-E819 PolarHBondContact OD1-N 3.18Å; E819-N861 PolarHBondContact OE2-ND2 2.92Å; E819-P898 HydrophobicContact CG-CB 3.88Å; E819-P898 HydrophobicContact CG-CG 4.14Å |
| 820 | E | 85.6 | Confident | 89.3 | Confident | 108 Ų | 108 | 43.4 Ų | 43.4 | 51% | 0.505 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -50.5 | 168.5 | -172.2 | -174.7 | -158.3 | 0 | 0 | 109.5 | K801 Y802 D817 | K801-E820 IonicContact NZ-OE1 3.64Å; Y802-E820 PolarHBondContact OH-OE1 2.83Å; Y802-E820 PolarHBondContact OH-OE2 3.17Å; D817-E820 HydrophobicContact CB-CB 4.07Å; D817-E820 WeakPolarHBondContact OD1-CB 3.42Å; D817-E820 PolarHBondContact OD1-N 3.05Å |
| 821 | R | 86 | Confident | 89.2 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -162.4 | 91.6 | -177.7 | -169 | 160 | -179.4 | 156.1 | 2.9 | 115.7 | D817 R818 N823 Y824 V855 | D817-R821 CarbonylContact O-C 3.6Å; D817-R821 PolarHBondContact O-N 3.16Å; R818-R821 CarbonylContact O-C 3.59Å; R818-R821 PolarHBondContact O-N 3.35Å; R821-N823 VanDerWaalsContact CG-O 3.26Å; R821-N823 WeakPolarHBondContact CG-O 3.39Å; R821-N823 PolarHBondContact NE-O 3.39Å; R821-N823 PolarHBondContact O-N 3.18Å; R821-Y824 HydrophobicContact CB-CE1 4.39Å; R821-Y824 HydrophobicContact CB-CE2 4.12Å; R821-Y824 HydrophobicContact CG-CD1 4.42Å; R821-Y824 HydrophobicContact CG-CD2 4.39Å; R821-Y824 HydrophobicContact CG-CE1 4.11Å; R821-Y824 HydrophobicContact CG-CE2 4.04Å; R821-Y824 VanDerWaalsContact O-CE2 3.28Å; R821-Y824 WeakPolarHBondContact O-CE2 3.36Å; R821-V855 WeakPolarHBondContact O-CG2 3.31Å |
| 822 | A | 87.3 | Confident | 89 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -54.8 | -21.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R818 V855 | R818-A822 HydrophobicContact CG-CB 3.83Å; R818-A822 PolarHBondContact O-N 3.33Å; A822-V855 PolarHBondContact O-N 2.67Å |
| 823 | N | 89 | Confident | 88.5 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.2 | -174.6 | -61.3 | -81.8 | 0 | 0 | 0 | 113.5 | R821 I853 H854 | R821-N823 VanDerWaalsContact CG-O 3.26Å; R821-N823 WeakPolarHBondContact CG-O 3.39Å; R821-N823 PolarHBondContact NE-O 3.39Å; R821-N823 PolarHBondContact O-N 3.18Å; N823-I853 WeakPolarHBondContact CA-O 3.39Å; N823-H854 PolarHBondContact OD1-CE1 3.38Å; N823-H854 PolarHBondContact OD1-ND1 2.77Å |
| 824 | Y | 89.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.9 | 168.7 | -57.7 | -101.1 | 0 | 0 | 0 | 110 | I799 Y802 F803 L816 R821 I853 V855 | I799-Y824 HydrophobicContact CD1-CD1 4.1Å; Y802-Y824 AromaticContact CD2-CE1 3.63Å; Y802-Y824 HydrophobicContact CD2-CE1 3.63Å; Y802-Y824 AromaticContact CE2-CE1 3.99Å; Y802-Y824 HydrophobicContact CE2-CE1 3.99Å; Y802-Y824 HydrophobicContact CG-CE1 4.17Å; F803-Y824 AromaticContact CE2-CD1 3.65Å; F803-Y824 HydrophobicContact CE2-CD1 3.65Å; F803-Y824 HydrophobicContact CE2-CD2 4.14Å; F803-Y824 HydrophobicContact CE2-CE1 4.14Å; F803-Y824 AromaticContact CE2-CG 3.63Å; F803-Y824 HydrophobicContact CE2-CG 3.63Å; F803-Y824 HydrophobicContact CZ-CD1 4.42Å; F803-Y824 HydrophobicContact CZ-CD2 4.13Å; F803-Y824 HydrophobicContact CZ-CG 4.06Å; L816-Y824 HydrophobicContact CD1-CE2 4.22Å; L816-Y824 HydrophobicContact CD2-CE2 3.89Å; R821-Y824 HydrophobicContact CB-CE1 4.39Å; R821-Y824 HydrophobicContact CB-CE2 4.12Å; R821-Y824 HydrophobicContact CG-CD1 4.42Å; R821-Y824 HydrophobicContact CG-CD2 4.39Å; R821-Y824 HydrophobicContact CG-CE1 4.11Å; R821-Y824 HydrophobicContact CG-CE2 4.04Å; R821-Y824 VanDerWaalsContact O-CE2 3.28Å; R821-Y824 WeakPolarHBondContact O-CE2 3.36Å; Y824-I853 PolarHBondContact N-O 2.87Å; Y824-I853 PolarHBondContact O-N 2.94Å; Y824-V855 HydrophobicContact CD2-CG2 4.21Å; Y824-V855 HydrophobicContact CE2-CG2 3.92Å |
| 825 | H | 87.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 130.5 | -179 | 172.3 | -127.5 | 0 | 0 | 0 | 109 | D761 Y827 E850 V851 F852 | D761-H825 IonicContact OD2-CE1 3.23Å; H825-Y827 AromaticContact CE1-CE2 3.64Å; H825-Y827 AromaticContact CE1-CZ 3.39Å; H825-Y827 PolarHBondContact CE1-OH 2.97Å; H825-Y827 AromaticContact NE2-CE1 3.47Å; H825-Y827 WeakPolarHBondContact NE2-CE1 3.19Å; H825-Y827 AromaticContact NE2-CE2 3.96Å; H825-Y827 AromaticContact NE2-CZ 3.17Å; H825-Y827 PolarHBondContact NE2-OH 2.88Å; H825-E850 IonicContact CE1-OE1 3.71Å; H825-E850 WeakPolarHBondContact NE2-CG 3.41Å; H825-E850 IonicContact NE2-OE1 3.76Å; H825-E850 PolarHBondContact NE2-OE1 2.94Å; H825-E850 IonicContact NE2-OE2 2.79Å; H825-V851 WeakPolarHBondContact CA-O 3.32Å; H825-F852 HydrophobicContact CB-CD1 3.99Å; H825-F852 HydrophobicContact CB-CE1 4.02Å; H825-F852 AromaticContact CD2-CD1 3.58Å; H825-F852 AromaticContact CD2-CE1 3.17Å; H825-F852 WeakPolarHBondContact CD2-CE1 3.22Å; H825-F852 AromaticContact CD2-CZ 3.53Å; H825-F852 AromaticContact CG-CD1 3.95Å; H825-F852 AromaticContact CG-CE1 3.54Å; H825-F852 AromaticContact NE2-CE1 3.93Å; H825-F852 AromaticContact NE2-CZ 3.49Å; H825-F852 WeakPolarHBondContact NE2-CZ 3.24Å |
| 826 | F | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 171.3 | 178.2 | 53.6 | -92.5 | 0 | 0 | 0 | 109.6 | I758 I799 F803 L810 I828 V851 I853 | I758-F826 HydrophobicContact CG2-CB 4.44Å; I758-F826 HydrophobicContact CG2-CD2 3.95Å; I758-F826 HydrophobicContact CG2-CG 4.38Å; I799-F826 HydrophobicContact CD1-CD1 3.94Å; I799-F826 HydrophobicContact CG1-CB 4.43Å; I799-F826 HydrophobicContact CG1-CD1 4.39Å; I799-F826 HydrophobicContact CG2-CB 4.25Å; I799-F826 HydrophobicContact CG2-CD1 3.75Å; I799-F826 HydrophobicContact CG2-CE1 4.21Å; I799-F826 HydrophobicContact CG2-CG 3.94Å; F803-F826 AromaticContact CD2-CE1 3.89Å; F803-F826 HydrophobicContact CD2-CE1 3.89Å; F803-F826 HydrophobicContact CD2-CZ 4.44Å; F803-F826 HydrophobicContact CE2-CE1 4.26Å; F803-F826 HydrophobicContact CG-CE1 4.25Å; F803-F826 HydrophobicContact CG-CZ 4.34Å; L810-F826 HydrophobicContact CD1-CE2 4.29Å; L810-F826 HydrophobicContact CD1-CZ 4.3Å; L810-F826 HydrophobicContact CD2-CE2 4.45Å; L810-F826 HydrophobicContact CD2-CZ 4.01Å; F826-I828 HydrophobicContact CD2-CD1 4.08Å; F826-I828 HydrophobicContact CD2-CG1 4.4Å; F826-I828 HydrophobicContact CE2-CD1 3.87Å; F826-I828 HydrophobicContact CE2-CG1 4.19Å; F826-V851 HydrophobicContact CD2-CB 4.08Å; F826-V851 HydrophobicContact CE1-CG1 4.48Å; F826-V851 HydrophobicContact CE2-CB 3.76Å; F826-V851 HydrophobicContact CE2-CG1 3.85Å; F826-V851 HydrophobicContact CE2-CG2 4.18Å; F826-V851 HydrophobicContact CZ-CB 4.14Å; F826-V851 HydrophobicContact CZ-CG1 3.78Å; F826-V851 PolarHBondContact N-O 2.01Å; F826-V851 PolarHBondContact O-N 3.1Å; F826-I853 HydrophobicContact CE1-CD1 3.89Å; F826-I853 HydrophobicContact CE1-CG1 4.43Å; F826-I853 HydrophobicContact CZ-CD1 3.84Å |
| 827 | Y | 89.9 | Confident | 82.3 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.2 | 178.4 | -61.9 | -81.5 | 0 | 0 | 0 | 110.4 | L759 D761 H825 T849 E850 | L759-Y827 PolarHBondContact N-O 3.5Å; L759-Y827 PolarHBondContact O-N 3.45Å; D761-Y827 HydrophobicContact CB-CE2 4.22Å; H825-Y827 AromaticContact CE1-CE2 3.64Å; H825-Y827 AromaticContact CE1-CZ 3.39Å; H825-Y827 PolarHBondContact CE1-OH 2.97Å; H825-Y827 AromaticContact NE2-CE1 3.47Å; H825-Y827 WeakPolarHBondContact NE2-CE1 3.19Å; H825-Y827 AromaticContact NE2-CE2 3.96Å; H825-Y827 AromaticContact NE2-CZ 3.17Å; H825-Y827 PolarHBondContact NE2-OH 2.88Å; Y827-T849 WeakPolarHBondContact CA-O 3.49Å; Y827-E850 HydrophobicContact CD1-CB 3.93Å; Y827-E850 HydrophobicContact CD1-CG 4.13Å; Y827-E850 HydrophobicContact CE1-CB 3.65Å; Y827-E850 HydrophobicContact CE1-CG 3.52Å; Y827-E850 VanDerWaalsContact CE1-OE1 3.26Å; Y827-E850 WeakPolarHBondContact CE1-OE1 3.5Å; Y827-E850 VanDerWaalsContact CZ-OE1 3.28Å; Y827-E850 PolarHBondContact OH-OE1 2.77Å |
| 828 | I | 90.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.3 | 169 | -61.1 | -65.3 | 0 | 0 | 0 | 107.4 | F720 F742 F756 N757 I758 L805 F826 Q848 T849 V851 | F720-I828 HydrophobicContact CE1-CG2 4.13Å; F720-I828 WeakPolarHBondContact CE2-O 3.42Å; F720-I828 HydrophobicContact CZ-CB 4.49Å; F720-I828 HydrophobicContact CZ-CG2 3.99Å; F720-I828 WeakPolarHBondContact CZ-O 3.07Å; F742-I828 HydrophobicContact CD2-CG2 4.22Å; F742-I828 HydrophobicContact CE1-CG1 4.46Å; F742-I828 HydrophobicContact CE2-CB 4.45Å; F742-I828 HydrophobicContact CE2-CD1 4.34Å; F742-I828 HydrophobicContact CE2-CG1 3.83Å; F742-I828 HydrophobicContact CE2-CG2 4.2Å; F742-I828 HydrophobicContact CZ-CB 4.44Å; F742-I828 HydrophobicContact CZ-CG1 3.73Å; F756-I828 HydrophobicContact CD1-CG2 4.25Å; N757-I828 WeakPolarHBondContact O-CA 3.26Å; I758-I828 HydrophobicContact CB-CD1 4.3Å; I758-I828 HydrophobicContact CG1-CD1 3.8Å; I758-I828 HydrophobicContact CG2-CD1 4.36Å; L805-I828 HydrophobicContact CD1-CD1 4.22Å; L805-I828 HydrophobicContact CD2-CD1 3.98Å; L805-I828 HydrophobicContact CD2-CG2 4.13Å; F826-I828 HydrophobicContact CD2-CD1 4.08Å; F826-I828 HydrophobicContact CD2-CG1 4.4Å; F826-I828 HydrophobicContact CE2-CD1 3.87Å; F826-I828 HydrophobicContact CE2-CG1 4.19Å; I828-Q848 CarbonylContact O-C 3.4Å; I828-Q848 VanDerWaalsContact O-CA 3.29Å; I828-Q848 WeakPolarHBondContact O-CA 3.34Å; I828-T849 HydrophobicContact CB-CG2 3.92Å; I828-T849 PolarHBondContact N-O 3.22Å; I828-T849 PolarHBondContact O-N 2.82Å; I828-V851 HydrophobicContact CG1-CG2 3.72Å |
| 829 | Q | 90.8 | Very high | 77.5 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.8 | 174 | -170.7 | -171.2 | 32.2 | 0 | 0 | 109.5 | F756 N757 L759 T846 S847 | F756-Q829 CarbonylContact C-O 3.42Å; F756-Q829 WeakPolarHBondContact CA-O 3.41Å; N757-Q829 HydrophobicContact CB-CB 4.44Å; N757-Q829 PolarHBondContact N-O 2.89Å; N757-Q829 PolarHBondContact ND2-OE1 3.07Å; N757-Q829 PolarHBondContact O-N 3.2Å; L759-Q829 HydrophobicContact CD1-CB 3.73Å; L759-Q829 HydrophobicContact CD1-CG 4.19Å; L759-Q829 HydrophobicContact CG-CB 3.9Å; Q829-T846 PolarHBondContact NE2-OG1 3.43Å; Q829-T846 VanDerWaalsContact NE2-OG1 3.11Å; Q829-S847 CarbonylContact C-O 3.55Å; Q829-S847 VanDerWaalsContact CA-O 3.29Å; Q829-S847 WeakPolarHBondContact CA-O 3.24Å; Q829-S847 WeakPolarHBondContact CG-O 3.28Å |
| 830 | V | 90.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.4 | 167 | 70.3 | 0 | 0 | 0 | 0 | 110 | P718 F720 V744 F754 K755 F756 T846 S847 | P718-V830 HydrophobicContact CB-CG1 4.16Å; P718-V830 HydrophobicContact CG-CG1 4.07Å; F720-V830 HydrophobicContact CD2-CG1 4.12Å; F720-V830 HydrophobicContact CE1-CB 4.36Å; F720-V830 HydrophobicContact CE1-CG1 4.32Å; F720-V830 HydrophobicContact CE2-CB 4.03Å; F720-V830 HydrophobicContact CE2-CG1 3.44Å; F720-V830 VanDerWaalsContact CE2-CG1 3.44Å; F720-V830 HydrophobicContact CZ-CB 3.64Å; F720-V830 HydrophobicContact CZ-CG1 3.56Å; V744-V830 HydrophobicContact CG1-CG1 3.99Å; V744-V830 HydrophobicContact CG1-CG2 4.17Å; V744-V830 HydrophobicContact CG2-CB 4.36Å; V744-V830 HydrophobicContact CG2-CG1 4.1Å; V744-V830 HydrophobicContact CG2-CG2 4.24Å; F754-V830 HydrophobicContact CB-CG2 3.66Å; F754-V830 HydrophobicContact CD1-CG2 4.14Å; F754-V830 HydrophobicContact CG-CG2 4.13Å; K755-V830 WeakPolarHBondContact O-CA 3.32Å; F756-V830 HydrophobicContact CD1-CB 3.97Å; F756-V830 HydrophobicContact CD1-CG2 3.85Å; F756-V830 HydrophobicContact CD2-CG2 4.37Å; F756-V830 HydrophobicContact CE1-CB 3.99Å; F756-V830 HydrophobicContact CE1-CG2 3.68Å; F756-V830 HydrophobicContact CE2-CG2 4.2Å; F756-V830 HydrophobicContact CG-CG2 4.2Å; F756-V830 HydrophobicContact CZ-CG2 3.86Å; V830-T846 CarbonylContact O-C 3.57Å; V830-T846 WeakPolarHBondContact O-CA 3.43Å; V830-T846 WeakPolarHBondContact O-CB 3.04Å; V830-S847 PolarHBondContact N-O 2.78Å; V830-S847 PolarHBondContact O-N 3.24Å |
| 831 | Q | 89.3 | Confident | 73.6 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.8 | 178.4 | 176 | 169.5 | 49.9 | 0 | 0 | 109 | F754 K755 N844 L845 T846 | F754-Q831 WeakPolarHBondContact CA-O 3.48Å; K755-Q831 HydrophobicContact CB-CB 4.41Å; K755-Q831 PolarHBondContact N-O 2.73Å; K755-Q831 PolarHBondContact O-N 3.24Å; Q831-N844 HydrophobicContact CG-CB 3.93Å; Q831-L845 WeakPolarHBondContact CA-O 3.26Å; Q831-T846 HydrophobicContact CB-CG2 3.9Å; Q831-T846 HydrophobicContact CG-CG2 3.97Å |
| 832 | D | 88.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -71.9 | 168.3 | 173.4 | 69 | 68.5 | 0 | 0 | 0 | 112.5 | N714 P718 N751 H834 N844 L845 | N714-D832 VanDerWaalsContact ND2-CG 3.35Å; N714-D832 PolarHBondContact ND2-OD1 3.26Å; N714-D832 PolarHBondContact ND2-OD2 3.12Å; N714-D832 PolarHBondContact OD1-OD2 3.5Å; P718-D832 HydrophobicContact CG-CB 4.35Å; N751-D832 WeakPolarHBondContact ND2-CB 3.26Å; D832-H834 IonicContact OD1-CE1 2.69Å; D832-H834 IonicContact OD1-CG 3.14Å; D832-H834 PolarHBondContact OD1-N 3.23Å; D832-H834 IonicContact OD1-ND1 2.58Å; D832-H834 PolarHBondContact OD1-ND1 3.39Å; D832-H834 IonicContact OD2-ND1 3.95Å; D832-N844 PolarHBondContact O-ND2 3.16Å; D832-N844 WeakPolarHBondContact OD1-CA 3.3Å; D832-N844 PolarHBondContact OD1-ND2 2.91Å; D832-N844 WeakPolarHBondContact OD2-CA 3.24Å; D832-L845 PolarHBondContact N-O 3.01Å; D832-L845 WeakPolarHBondContact OD2-CA 3.32Å; D832-L845 PolarHBondContact OD2-N 2.73Å | ||
| 833 | V | 81.1 | Confident | 71.2 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | trans | -131.7 | 80.2 | 171.9 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | N751 K752 G753 K755 | N751-V833 PolarHBondContact OD1-N 3.21Å; K752-V833 WeakPolarHBondContact CB-O 3.4Å; K752-V833 PolarHBondContact N-O 3.24Å; G753-V833 WeakPolarHBondContact O-CB 3.05Å; G753-V833 WeakPolarHBondContact O-CG2 3.28Å; G753-V833 PolarHBondContact O-N 2.78Å; K755-V833 HydrophobicContact CB-CG2 4.44Å | ||
| 834 | H | 67.6 | Low | 70.7 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 11% | 0.106 | 35% | 0.352 | C | S | . | . | trans | -75.8 | 167.4 | 167.7 | -70.4 | 89.2 | 0 | 0 | 0 | 112.9 | N714 S749 N751 D832 | N714-H834 PolarHBondContact ND2-ND1 3.03Å; N714-H834 PolarHBondContact OD1-CE1 2.77Å; N714-H834 PolarHBondContact OD1-ND1 3.32Å; N714-H834 VanDerWaalsContact OD1-ND1 3.14Å; S749-H834 PolarHBondContact O-NE2 3.49Å; S749-H834 VanDerWaalsContact O-NE2 3.16Å; N751-H834 WeakPolarHBondContact CA-NE2 3.47Å; N751-H834 WeakPolarHBondContact CB-NE2 3.16Å; N751-H834 PolarHBondContact N-NE2 3.14Å; D832-H834 IonicContact OD1-CE1 2.69Å; D832-H834 IonicContact OD1-CG 3.14Å; D832-H834 PolarHBondContact OD1-N 3.23Å; D832-H834 IonicContact OD1-ND1 2.58Å; D832-H834 PolarHBondContact OD1-ND1 3.39Å; D832-H834 IonicContact OD2-ND1 3.95Å | ||
| 835 | N | 58.8 | Low | 70.5 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | trans | -122.2 | 115 | -164 | -176.2 | 98.5 | 0 | 0 | 0 | 111.2 | K752 L837 | K752-N835 HydrophobicContact CD-CB 4.13Å; K752-N835 WeakPolarHBondContact CE-OD1 3.47Å; K752-N835 VanDerWaalsContact NZ-CG 3.31Å; K752-N835 PolarHBondContact NZ-OD1 2.88Å; N835-L837 PolarHBondContact O-N 2.78Å | ||
| 836 | E | 53.4 | Low | 70.7 | Confident | 194 Ų | 194 | 73.2 Ų | 73.2 | 91% | 0.907 | 37% | 0.37 | S | S | * | . | trans | -50.8 | 95.6 | 178.6 | -63.1 | -179.1 | 153.4 | 0 | 0 | 112.3 | ||||
| 837 | L | 42.8 | Very low | 70.7 | Confident | 151 Ų | 151 | 74.9 Ų | 74.9 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | trans | -149 | 24 | 179.9 | -144.1 | 87.9 | 0 | 0 | 0 | 115.3 | N835 | N835-L837 PolarHBondContact O-N 2.78Š| ||
| 838 | S | 40.2 | Very low | 70.7 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -144.7 | 162.9 | 160.7 | 81.2 | 0 | 0 | 0 | 0 | 109.9 | Q840 | S838-Q840 PolarHBondContact O-N 2.84Å; S838-Q840 VanDerWaalsContact O-N 3.1Å; S838-Q840 PolarHBondContact OG-N 3.15Å |
| 839 | N | 41.6 | Very low | 70.7 | Confident | 184 Ų | 184 | 78.4 Ų | 78.4 | 98% | 0.984 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.4 | 28.2 | 175.6 | -82.6 | -28 | 0 | 0 | 0 | 112.8 | ||
| 840 | Q | 45.4 | Very low | 70.7 | Confident | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -116.2 | 139.9 | 171.3 | -69.1 | -178.5 | -17 | 0 | 0 | 109.3 | S838 Q842 | S838-Q840 PolarHBondContact O-N 2.84Å; S838-Q840 VanDerWaalsContact O-N 3.1Å; S838-Q840 PolarHBondContact OG-N 3.15Å; Q840-Q842 VanDerWaalsContact C-N 3.34Å; Q840-Q842 PolarHBondContact O-N 2.89Å |
| 841 | L | 45.9 | Very low | 70.7 | Confident | 140 Ų | 140 | 79 Ų | 79 | 73% | 0.733 | 40% | 0.402 | S | S | * | . | trans | -74.9 | 84.1 | 179.7 | -72.3 | 159.1 | 0 | 0 | 0 | 109.9 | Y843 | L841-Y843 HydrophobicContact CB-CE2 4.06Å; L841-Y843 WeakPolarHBondContact O-CD2 3.45Å; L841-Y843 VanDerWaalsContact O-CE2 3.24Å; L841-Y843 WeakPolarHBondContact O-CE2 3.35Å | ||
| 842 | Q | 55.8 | Low | 70.8 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -67 | 128 | 160.7 | -74.9 | -178 | -25.8 | 0 | 0 | 108.5 | Q840 | Q840-Q842 VanDerWaalsContact C-N 3.34Å; Q840-Q842 PolarHBondContact O-N 2.89Å |
| 843 | Y | 67 | Low | 70.9 | Confident | 164 Ų | 164 | 79.8 Ų | 79.8 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -103.9 | 131.9 | 179.5 | -62.7 | -84.5 | 0 | 0 | 0 | 109.3 | N714 L841 L845 | N714-Y843 PolarHBondContact ND2-O 2.7Å; L841-Y843 HydrophobicContact CB-CE2 4.06Å; L841-Y843 WeakPolarHBondContact O-CD2 3.45Å; L841-Y843 VanDerWaalsContact O-CE2 3.24Å; L841-Y843 WeakPolarHBondContact O-CE2 3.35Å; Y843-L845 PolarHBondContact O-N 3.35Å |
| 844 | N | 80.2 | Confident | 71.4 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 117.2 | 171.1 | -57.7 | 65 | 0 | 0 | 0 | 110 | Q831 D832 | Q831-N844 HydrophobicContact CG-CB 3.93Å; D832-N844 PolarHBondContact O-ND2 3.16Å; D832-N844 WeakPolarHBondContact OD1-CA 3.3Å; D832-N844 PolarHBondContact OD1-ND2 2.91Å; D832-N844 WeakPolarHBondContact OD2-CA 3.24Å |
| 845 | L | 85.7 | Confident | 72.5 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -77 | 160.2 | 175 | -58.7 | 177.4 | 0 | 0 | 0 | 110.6 | D715 P717 Q831 D832 Y843 | D715-L845 VanDerWaalsContact C-CD1 3.44Å; D715-L845 WeakPolarHBondContact O-CD1 3.39Å; P717-L845 HydrophobicContact CB-CB 4.11Å; P717-L845 HydrophobicContact CB-CD1 4.48Å; Q831-L845 WeakPolarHBondContact CA-O 3.26Å; D832-L845 PolarHBondContact N-O 3.01Å; D832-L845 WeakPolarHBondContact OD2-CA 3.32Å; D832-L845 PolarHBondContact OD2-N 2.73Å; Y843-L845 PolarHBondContact O-N 3.35Å |
| 846 | T | 89.7 | Confident | 74 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.1 | 178.8 | 77.4 | 0 | 0 | 0 | 0 | 111.8 | Q829 V830 Q831 | Q829-T846 PolarHBondContact NE2-OG1 3.43Å; Q829-T846 VanDerWaalsContact NE2-OG1 3.11Å; V830-T846 CarbonylContact O-C 3.57Å; V830-T846 WeakPolarHBondContact O-CA 3.43Å; V830-T846 WeakPolarHBondContact O-CB 3.04Å; Q831-T846 HydrophobicContact CB-CG2 3.9Å; Q831-T846 HydrophobicContact CG-CG2 3.97Å |
| 847 | S | 89.2 | Confident | 75.7 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 166.1 | 170.1 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | P718 Q829 V830 | P718-S847 WeakPolarHBondContact O-CB 2.91Å; Q829-S847 CarbonylContact C-O 3.55Å; Q829-S847 VanDerWaalsContact CA-O 3.29Å; Q829-S847 WeakPolarHBondContact CA-O 3.24Å; Q829-S847 WeakPolarHBondContact CG-O 3.28Å; V830-S847 PolarHBondContact N-O 2.78Å; V830-S847 PolarHBondContact O-N 3.24Å |
| 848 | Q | 91 | Very high | 77.8 | Confident | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.1 | 178.2 | 64.1 | -176.2 | 3.3 | 0 | 0 | 111.6 | I828 | I828-Q848 CarbonylContact O-C 3.4Å; I828-Q848 VanDerWaalsContact O-CA 3.29Å; I828-Q848 WeakPolarHBondContact O-CA 3.34Å |
| 849 | T | 90.1 | Very high | 80 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.5 | 172 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | F720 H722 D723 Y725 F742 Y827 I828 | F720-T849 HydrophobicContact CD1-CG2 3.57Å; F720-T849 HydrophobicContact CD2-CG2 3.91Å; F720-T849 HydrophobicContact CE1-CG2 3.54Å; F720-T849 HydrophobicContact CE2-CG2 3.88Å; F720-T849 HydrophobicContact CG-CG2 3.76Å; F720-T849 HydrophobicContact CZ-CG2 3.7Å; H722-T849 PolarHBondContact O-OG1 3.44Å; D723-T849 PolarHBondContact O-OG1 3.37Å; D723-T849 VanDerWaalsContact O-OG1 3.12Å; Y725-T849 HydrophobicContact CD2-CG2 3.98Å; Y725-T849 WeakPolarHBondContact CD2-OG1 3.25Å; Y725-T849 HydrophobicContact CE2-CG2 3.89Å; Y725-T849 VanDerWaalsContact CE2-OG1 3.29Å; Y725-T849 WeakPolarHBondContact CE2-OG1 3.39Å; F742-T849 HydrophobicContact CD1-CG2 4.36Å; F742-T849 HydrophobicContact CE1-CG2 4.31Å; Y827-T849 WeakPolarHBondContact CA-O 3.49Å; I828-T849 HydrophobicContact CB-CG2 3.92Å; I828-T849 PolarHBondContact N-O 3.22Å; I828-T849 PolarHBondContact O-N 2.82Å |
| 850 | E | 91.2 | Very high | 82.1 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.5 | -178.4 | -172.7 | 164.5 | -119.8 | 0 | 0 | 110.9 | D723 T724 Y725 H825 Y827 F852 | D723-E850 PolarHBondContact O-N 2.8Å; T724-E850 CarbonylContact C-O 3.58Å; T724-E850 VanDerWaalsContact CA-O 3.28Å; T724-E850 WeakPolarHBondContact CA-O 3.49Å; T724-E850 HydrophobicContact CG2-CB 4.17Å; T724-E850 HydrophobicContact CG2-CG 4.37Å; Y725-E850 PolarHBondContact N-O 3.42Å; H825-E850 IonicContact CE1-OE1 3.71Å; H825-E850 WeakPolarHBondContact NE2-CG 3.41Å; H825-E850 IonicContact NE2-OE1 3.76Å; H825-E850 PolarHBondContact NE2-OE1 2.94Å; H825-E850 IonicContact NE2-OE2 2.79Å; Y827-E850 HydrophobicContact CD1-CB 3.93Å; Y827-E850 HydrophobicContact CD1-CG 4.13Å; Y827-E850 HydrophobicContact CE1-CB 3.65Å; Y827-E850 HydrophobicContact CE1-CG 3.52Å; Y827-E850 VanDerWaalsContact CE1-OE1 3.26Å; Y827-E850 WeakPolarHBondContact CE1-OE1 3.5Å; Y827-E850 VanDerWaalsContact CZ-OE1 3.28Å; Y827-E850 PolarHBondContact OH-OE1 2.77Å; E850-F852 VanDerWaalsContact CD-CE2 3.45Å; E850-F852 HydrophobicContact CG-CD2 4.18Å; E850-F852 HydrophobicContact CG-CE2 3.56Å; E850-F852 HydrophobicContact CG-CZ 3.94Å; E850-F852 VanDerWaalsContact OE2-CE2 3.31Å; E850-F852 WeakPolarHBondContact OE2-CE2 3.42Å |
| 851 | V | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.6 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | I727 F742 H825 F826 I828 I853 | I727-V851 HydrophobicContact CD1-CG1 3.94Å; F742-V851 HydrophobicContact CE1-CG2 4.09Å; F742-V851 HydrophobicContact CZ-CG2 3.95Å; H825-V851 WeakPolarHBondContact CA-O 3.32Å; F826-V851 HydrophobicContact CD2-CB 4.08Å; F826-V851 HydrophobicContact CE1-CG1 4.48Å; F826-V851 HydrophobicContact CE2-CB 3.76Å; F826-V851 HydrophobicContact CE2-CG1 3.85Å; F826-V851 HydrophobicContact CE2-CG2 4.18Å; F826-V851 HydrophobicContact CZ-CB 4.14Å; F826-V851 HydrophobicContact CZ-CG1 3.78Å; F826-V851 PolarHBondContact N-O 2.01Å; F826-V851 PolarHBondContact O-N 3.1Å; I828-V851 HydrophobicContact CG1-CG2 3.72Å; V851-I853 HydrophobicContact CG1-CD1 4.44Å; V851-I853 HydrophobicContact CG1-CG1 4.08Å |
| 852 | F | 91.2 | Very high | 85.7 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.7 | 169.5 | -67 | -76.2 | 0 | 0 | 0 | 109.6 | T724 Y725 I727 H825 E850 | T724-F852 HydrophobicContact CG2-CD2 3.66Å; T724-F852 HydrophobicContact CG2-CE2 3.82Å; Y725-F852 PolarHBondContact O-N 2.92Å; I727-F852 PolarHBondContact N-O 2.89Å; H825-F852 HydrophobicContact CB-CD1 3.99Å; H825-F852 HydrophobicContact CB-CE1 4.02Å; H825-F852 AromaticContact CD2-CD1 3.58Å; H825-F852 AromaticContact CD2-CE1 3.17Å; H825-F852 WeakPolarHBondContact CD2-CE1 3.22Å; H825-F852 AromaticContact CD2-CZ 3.53Å; H825-F852 AromaticContact CG-CD1 3.95Å; H825-F852 AromaticContact CG-CE1 3.54Å; H825-F852 AromaticContact NE2-CE1 3.93Å; H825-F852 AromaticContact NE2-CZ 3.49Å; H825-F852 WeakPolarHBondContact NE2-CZ 3.24Å; E850-F852 VanDerWaalsContact CD-CE2 3.45Å; E850-F852 HydrophobicContact CG-CD2 4.18Å; E850-F852 HydrophobicContact CG-CE2 3.56Å; E850-F852 HydrophobicContact CG-CZ 3.94Å; E850-F852 VanDerWaalsContact OE2-CE2 3.31Å; E850-F852 WeakPolarHBondContact OE2-CE2 3.42Å |
| 853 | I | 90.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108.6 | 171.5 | -57.2 | -178 | 0 | 0 | 0 | 107.6 | I727 L729 F803 L810 L816 N823 Y824 F826 V851 | I727-I853 HydrophobicContact CB-CG1 4.23Å; I727-I853 HydrophobicContact CD1-CG1 4.4Å; I727-I853 WeakPolarHBondContact O-CA 3.35Å; L729-I853 HydrophobicContact CD1-CG2 3.67Å; L729-I853 HydrophobicContact CG-CG2 4.02Å; F803-I853 HydrophobicContact CD1-CD1 3.78Å; F803-I853 HydrophobicContact CE1-CD1 3.32Å; F803-I853 HydrophobicContact CE1-CG2 4.48Å; F803-I853 HydrophobicContact CE2-CD1 4.2Å; F803-I853 HydrophobicContact CG-CD1 4.39Å; F803-I853 HydrophobicContact CZ-CD1 3.57Å; F803-I853 HydrophobicContact CZ-CG2 4.23Å; L810-I853 HydrophobicContact CD2-CD1 4.06Å; L816-I853 HydrophobicContact CD1-CG2 4.29Å; N823-I853 WeakPolarHBondContact CA-O 3.39Å; Y824-I853 PolarHBondContact N-O 2.87Å; Y824-I853 PolarHBondContact O-N 2.94Å; F826-I853 HydrophobicContact CE1-CD1 3.89Å; F826-I853 HydrophobicContact CE1-CG1 4.43Å; F826-I853 HydrophobicContact CZ-CD1 3.84Å; V851-I853 HydrophobicContact CG1-CD1 4.44Å; V851-I853 HydrophobicContact CG1-CG1 4.08Å |
| 854 | H | 90.9 | Very high | 88.3 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 26% | 0.264 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.7 | 169.9 | -62.6 | -62.8 | 0 | 0 | 0 | 108.9 | I727 H728 L729 N823 | I727-H854 PolarHBondContact O-N 3.5Å; H728-H854 AromaticContact CE1-CD2 3.74Å; H728-H854 AromaticContact CE1-CG 3.95Å; H728-H854 AromaticContact NE2-CD2 3.67Å; L729-H854 PolarHBondContact N-O 3.11Å; N823-H854 PolarHBondContact OD1-CE1 3.38Å; N823-H854 PolarHBondContact OD1-ND1 2.77Å |
| 855 | V | 91.6 | Very high | 88.7 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.3 | 170.6 | -167.4 | 0 | 0 | 0 | 0 | 108.1 | L729 E731 L816 R818 R821 A822 Y824 | L729-V855 CarbonylContact O-C 3.58Å; L729-V855 WeakPolarHBondContact O-CA 3.21Å; E731-V855 HydrophobicContact CB-CG1 3.63Å; L816-V855 HydrophobicContact CB-CG1 4.23Å; L816-V855 HydrophobicContact CB-CG2 4.22Å; L816-V855 HydrophobicContact CD1-CG2 3.91Å; R818-V855 HydrophobicContact CB-CB 4.16Å; R818-V855 HydrophobicContact CB-CG1 3.81Å; R818-V855 HydrophobicContact CG-CB 4.24Å; R818-V855 HydrophobicContact CG-CG1 4.34Å; R821-V855 WeakPolarHBondContact O-CG2 3.31Å; A822-V855 PolarHBondContact O-N 2.67Å; Y824-V855 HydrophobicContact CD2-CG2 4.21Å; Y824-V855 HydrophobicContact CE2-CG2 3.92Å |
| 856 | N | 89.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.8 | 176.2 | -57.2 | -31.5 | 0 | 0 | 0 | 109.9 | H728 L729 D730 E731 | H728-N856 PolarHBondContact ND1-OD1 3.02Å; L729-N856 PolarHBondContact O-N 2.87Å; D730-N856 PolarHBondContact OD1-ND2 3.24Å; E731-N856 PolarHBondContact N-O 3.38Å |
| 857 | D | 89.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -68 | 130.4 | -178.4 | -169.2 | 90 | 0 | 0 | 0 | 113.7 | E731 R818 L900 N903 | E731-D857 VanDerWaalsContact OE1-CA 3.3Å; E731-D857 WeakPolarHBondContact OE1-CA 3.17Å; R818-D857 VanDerWaalsContact CD-OD1 3.26Å; R818-D857 WeakPolarHBondContact CD-OD1 3.49Å; R818-D857 IonicContact CZ-OD1 2.72Å; R818-D857 IonicContact NE-OD1 2.85Å; R818-D857 PolarHBondContact NE-OD1 2.79Å; R818-D857 IonicContact NH1-OD1 2.89Å; R818-D857 PolarHBondContact NH1-OD1 3.41Å; D857-L900 HydrophobicContact CB-CB 4.26Å; D857-L900 VanDerWaalsContact OD1-CB 3.31Å; D857-L900 WeakPolarHBondContact OD1-CB 3.32Å; D857-L900 PolarHBondContact OD1-N 2.76Å; D857-L900 PolarHBondContact OD2-N 3.25Å; D857-N903 PolarHBondContact OD2-ND2 2.58Å |
| 858 | I | 87 | Confident | 88 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | trans | -120.7 | 139.2 | 168 | -62.1 | 178.9 | 0 | 0 | 0 | 107.8 | D730 E731 D860 | D730-I858 HydrophobicContact CB-CD1 4.17Å; E731-I858 HydrophobicContact CG-CB 3.88Å; E731-I858 HydrophobicContact CG-CD1 3.92Å; E731-I858 HydrophobicContact CG-CG1 3.88Å; E731-I858 WeakPolarHBondContact O-CD1 3.31Å; E731-I858 PolarHBondContact OE1-N 3.36Å; I858-D860 HydrophobicContact CG2-CB 4.16Å; I858-D860 PolarHBondContact O-N 2.83Å | ||
| 859 | N | 86.4 | Confident | 87.2 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | trans | -71 | 72.6 | 176.3 | -166.6 | 84.7 | 0 | 0 | 0 | 111.6 | D899 N903 D954 S960 | N859-D899 VanDerWaalsContact CA-OD2 3.28Å; N859-D899 WeakPolarHBondContact CA-OD2 3.36Å; N859-N903 HydrophobicContact CB-CB 3.9Å; N859-N903 VanDerWaalsContact CB-CG 3.47Å; N859-N903 WeakPolarHBondContact OD1-CA 3.31Å; N859-N903 WeakPolarHBondContact OD1-CB 3.32Å; N859-N903 PolarHBondContact OD1-OD1 3.32Å; N859-D954 PolarHBondContact ND2-OD1 2.73Å; N859-D954 PolarHBondContact OD1-OD1 3.2Å; N859-D954 VanDerWaalsContact OD1-OD1 3.13Å; N859-S960 WeakPolarHBondContact CB-OG 3.41Å; N859-S960 PolarHBondContact ND2-OG 3.42Å; N859-S960 VanDerWaalsContact ND2-OG 3.08Å; N859-S960 WeakPolarHBondContact O-CB 3.26Å | ||
| 860 | D | 84.8 | Confident | 86.1 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | trans | -113.2 | -4.7 | -168.8 | 131.5 | -61.1 | 0 | 0 | 0 | 113.1 | N732 I858 D899 K964 | N732-D860 VanDerWaalsContact ND2-CG 3.31Å; N732-D860 PolarHBondContact ND2-OD2 3.47Å; I858-D860 HydrophobicContact CG2-CB 4.16Å; I858-D860 PolarHBondContact O-N 2.83Å; D860-D899 PolarHBondContact N-OD2 2.79Å; D860-D899 VanDerWaalsContact N-OD2 3.08Å; D860-K964 PolarHBondContact O-NZ 2.86Å | ||
| 861 | N | 84.6 | Confident | 85 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -95.6 | -151.8 | 167.2 | -69.2 | -81.1 | 0 | 0 | 0 | 111.6 | E819 P898 D899 K964 | E819-N861 PolarHBondContact OE2-ND2 2.92Å; N861-P898 HydrophobicContact CB-CG 3.46Å; N861-P898 VanDerWaalsContact CB-CG 3.46Å; N861-D899 VanDerWaalsContact CB-OD1 3.32Å; N861-D899 WeakPolarHBondContact CB-OD1 3.5Å; N861-D899 PolarHBondContact N-OD2 3.33Å; N861-D899 VanDerWaalsContact N-OD2 3.11Å; N861-D899 PolarHBondContact ND2-OD1 3.44Å; N861-K964 PolarHBondContact O-NZ 3.33Å |
| 862 | I | 83.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | trans | -163.4 | 151.2 | 171.7 | 30.4 | 166.4 | 0 | 0 | 0 | 110.2 | T864 D897 K964 T967 | I862-T864 PolarHBondContact O-N 2.78Å; I862-D897 WeakPolarHBondContact CA-OD2 3.26Å; I862-K964 HydrophobicContact CG1-CD 4.34Å; I862-K964 HydrophobicContact CG2-CB 3.95Å; I862-K964 HydrophobicContact CG2-CD 3.62Å; I862-K964 HydrophobicContact CG2-CG 4.45Å; I862-T967 HydrophobicContact CD1-CG2 4.5Å | ||
| 863 | P | 89 | Confident | 82 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | trans | -67.2 | 133.8 | -179.7 | -23.6 | 34.1 | 0 | 0 | 0 | 112.9 | D897 I906 I952 D954 T967 | P863-D897 WeakPolarHBondContact CA-OD2 3.16Å; P863-D897 HydrophobicContact CB-CB 4.33Å; P863-D897 WeakPolarHBondContact CD-OD2 3.27Å; P863-D897 HydrophobicContact CG-CB 4.21Å; P863-D897 WeakPolarHBondContact CG-OD2 3.36Å; P863-I906 HydrophobicContact CB-CG1 4.37Å; P863-I906 HydrophobicContact CB-CG2 4.43Å; P863-I952 HydrophobicContact CB-CB 4.28Å; P863-I952 HydrophobicContact CB-CD1 3.71Å; P863-I952 HydrophobicContact CB-CG1 3.88Å; P863-D954 HydrophobicContact CG-CB 3.93Å; P863-T967 WeakPolarHBondContact O-CG2 2.54Å; P863-T967 PolarHBondContact O-OG1 2.69Å | ||
| 864 | T | 88.3 | Confident | 80.3 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.3 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 111 | I862 G895 Y896 I952 | I862-T864 PolarHBondContact O-N 2.78Å; T864-G895 CarbonylContact O-C 3.54Å; T864-G895 WeakPolarHBondContact O-CA 3.49Å; T864-Y896 PolarHBondContact N-O 3.29Å; T864-Y896 PolarHBondContact O-N 3.06Å; T864-Y896 PolarHBondContact OG1-O 3.24Å; T864-I952 VanDerWaalsContact C-CD1 3.47Å; T864-I952 WeakPolarHBondContact O-CD1 3.47Å |
| 865 | F | 87.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 11% | 0.114 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 124.1 | 178.4 | -75 | -81.5 | 0 | 0 | 0 | 112.2 | P868 I893 I950 I952 E969 | F865-P868 VanDerWaalsContact CB-O 3.3Å; F865-P868 WeakPolarHBondContact CB-O 3.29Å; F865-I893 HydrophobicContact CD1-CG2 4.09Å; F865-I893 HydrophobicContact CE1-CG2 3.75Å; F865-I950 HydrophobicContact CD1-CD1 4.43Å; F865-I950 HydrophobicContact CE1-CD1 3.65Å; F865-I950 HydrophobicContact CE1-CG1 4.25Å; F865-I950 HydrophobicContact CZ-CD1 4.03Å; F865-I950 HydrophobicContact CZ-CG1 4.11Å; F865-I952 HydrophobicContact CD1-CD1 4.01Å; F865-I952 HydrophobicContact CD1-CG1 4.48Å; F865-I952 HydrophobicContact CD1-CG2 4.45Å; F865-I952 HydrophobicContact CD2-CD1 3.98Å; F865-I952 HydrophobicContact CD2-CG1 4.18Å; F865-I952 HydrophobicContact CE1-CB 4.47Å; F865-I952 HydrophobicContact CE1-CD1 4.1Å; F865-I952 HydrophobicContact CE1-CG1 4.09Å; F865-I952 HydrophobicContact CE1-CG2 3.7Å; F865-I952 HydrophobicContact CE2-CD1 4.08Å; F865-I952 HydrophobicContact CE2-CG1 3.77Å; F865-I952 HydrophobicContact CG-CD1 3.95Å; F865-I952 HydrophobicContact CZ-CB 4.26Å; F865-I952 HydrophobicContact CZ-CD1 4.15Å; F865-I952 HydrophobicContact CZ-CG1 3.73Å; F865-I952 HydrophobicContact CZ-CG2 3.9Å; F865-E969 HydrophobicContact CD2-CB 3.87Å; F865-E969 HydrophobicContact CD2-CG 3.9Å; F865-E969 HydrophobicContact CE2-CB 3.81Å; F865-E969 HydrophobicContact CE2-CG 4.31Å; F865-E969 HydrophobicContact CG-CB 4.34Å; F865-E969 HydrophobicContact CG-CG 4.34Å; F865-E969 HydrophobicContact CZ-CB 4.23Å |
| 866 | I | 85.6 | Confident | 78.6 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 43% | 0.431 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -47.7 | 161.4 | -62 | 173.3 | 0 | 0 | 0 | 109 | N869 Q894 | I866-N869 WeakPolarHBondContact O-CB 3.41Å; I866-Q894 WeakPolarHBondContact CA-O 3.34Å; I866-Q894 HydrophobicContact CB-CB 4Å; I866-Q894 WeakPolarHBondContact CB-O 3.29Å; I866-Q894 HydrophobicContact CG2-CB 4.42Å; I866-Q894 PolarHBondContact N-O 3.01Å |
| 867 | F | 83.7 | Confident | 78.3 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.9 | 175.6 | 179.9 | -90.2 | 0 | 0 | 0 | 110.8 | G875 L878 Q892 I893 Q894 L971 | F867-G875 WeakPolarHBondContact CE2-O 3.41Å; F867-L878 HydrophobicContact CE1-CD1 4.24Å; F867-L878 HydrophobicContact CE1-CD2 3.74Å; F867-L878 HydrophobicContact CE1-CG 3.93Å; F867-L878 HydrophobicContact CZ-CD2 3.68Å; F867-L878 HydrophobicContact CZ-CG 3.92Å; F867-Q892 WeakPolarHBondContact CD1-O 3.4Å; F867-I893 WeakPolarHBondContact O-CG2 3.39Å; F867-Q894 PolarHBondContact N-O 2.88Å; F867-Q894 PolarHBondContact O-N 2.92Å; F867-L971 HydrophobicContact CE1-CD1 3.9Å; F867-L971 HydrophobicContact CZ-CD1 4.08Å |
| 868 | P | 82 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | cis | -65.6 | 147.5 | -6.7 | 30.2 | -37.1 | 0 | 0 | 0 | 112 | F865 N876 I950 E969 L971 | F865-P868 VanDerWaalsContact CB-O 3.3Å; F865-P868 WeakPolarHBondContact CB-O 3.29Å; P868-N876 HydrophobicContact CB-CB 3.67Å; P868-I950 VanDerWaalsContact CD-CD1 3.47Å; P868-I950 HydrophobicContact CG-CD1 3.58Å; P868-E969 HydrophobicContact CG-CB 4.04Å; P868-L971 HydrophobicContact CB-CD1 3.95Å; P868-L971 HydrophobicContact CG-CB 4.18Å; P868-L971 HydrophobicContact CG-CD1 4.05Å |
| 869 | N | 72.4 | Confident | 77.9 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | trans | -146.7 | 112.9 | 179.9 | 172.7 | -19.6 | 0 | 0 | 0 | 109.1 | I866 S871 T872 N876 | I866-N869 WeakPolarHBondContact O-CB 3.41Å; N869-S871 PolarHBondContact O-N 2.92Å; N869-S871 WeakPolarHBondContact OD1-CB 3.19Å; N869-S871 PolarHBondContact OD1-N 2.86Å; N869-S871 PolarHBondContact OD1-OG 2.91Å; N869-T872 HydrophobicContact CB-CG2 3.92Å; N869-T872 PolarHBondContact O-N 3.18Å; N869-T872 PolarHBondContact O-OG1 3.05Å; N869-N876 PolarHBondContact N-OD1 2.86Å; N869-N876 PolarHBondContact O-OD1 2.85Å | ||
| 870 | G | 67.4 | Low | 77.8 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -8.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N876 E969 | G870-N876 WeakPolarHBondContact CA-OD1 3.45Å; G870-N876 PolarHBondContact N-OD1 2.86Å; G870-E969 PolarHBondContact N-OE1 2.89Å |
| 871 | S | 68.2 | Low | 77.6 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.9 | 175 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | N869 | N869-S871 PolarHBondContact O-N 2.92Å; N869-S871 WeakPolarHBondContact OD1-CB 3.19Å; N869-S871 PolarHBondContact OD1-N 2.86Å; N869-S871 PolarHBondContact OD1-OG 2.91Å |
| 872 | T | 62.1 | Low | 77.6 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -84.6 | 151.9 | -173.6 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | N869 A874 G875 | N869-T872 HydrophobicContact CB-CG2 3.92Å; N869-T872 PolarHBondContact O-N 3.18Å; N869-T872 PolarHBondContact O-OG1 3.05Å; T872-A874 PolarHBondContact O-N 2.97Å; T872-G875 WeakPolarHBondContact O-CA 3.45Å; T872-G875 PolarHBondContact O-N 2.94Å |
| 873 | S | 57.5 | Low | 77.5 | Confident | 138 Ų | 138 | 51 Ų | 51 | 97% | 0.965 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.3 | 180 | -48.8 | 0 | 0 | 0 | 0 | 114.7 | G875 | S873-G875 VanDerWaalsContact C-N 3.31Š|
| 874 | A | 53.8 | Low | 77.1 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -24.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T872 | T872-A874 PolarHBondContact O-N 2.97Š|
| 875 | G | 66.2 | Low | 76.8 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -169.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F867 T872 S873 R877 | F867-G875 WeakPolarHBondContact CE2-O 3.41Å; T872-G875 WeakPolarHBondContact O-CA 3.45Å; T872-G875 PolarHBondContact O-N 2.94Å; S873-G875 VanDerWaalsContact C-N 3.31Å; G875-R877 PolarHBondContact O-N 3.26Å |
| 876 | N | 81.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 37.1 | 179.8 | -60.1 | 12.8 | 0 | 0 | 0 | 111.8 | P868 N869 G870 E969 H970 I972 | P868-N876 HydrophobicContact CB-CB 3.67Å; N869-N876 PolarHBondContact N-OD1 2.86Å; N869-N876 PolarHBondContact O-OD1 2.85Å; G870-N876 WeakPolarHBondContact CA-OD1 3.45Å; G870-N876 PolarHBondContact N-OD1 2.86Å; N876-E969 PolarHBondContact ND2-OE1 2.7Å; N876-E969 PolarHBondContact ND2-OE2 2.94Å; N876-H970 WeakPolarHBondContact CB-O 3.45Å; N876-H970 PolarHBondContact ND2-O 2.87Å; N876-I972 WeakPolarHBondContact O-CB 3.49Å; N876-I972 PolarHBondContact O-N 3.08Å |
| 877 | R | 82.7 | Confident | 76.6 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.1 | -173.5 | -79.9 | -174.3 | -177.6 | -119.5 | -7.5 | 113 | G875 I972 | G875-R877 PolarHBondContact O-N 3.26Å; R877-I972 VanDerWaalsContact CA-O 3.29Å; R877-I972 WeakPolarHBondContact CA-O 3.2Å; R877-I972 HydrophobicContact CG-CB 4Å; R877-I972 HydrophobicContact CG-CG2 4.18Å |
| 878 | L | 85.6 | Confident | 76.6 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 143.4 | 157.9 | -65.5 | 172.9 | 0 | 0 | 0 | 109 | F867 I890 L971 I972 I973 Q974 | F867-L878 HydrophobicContact CE1-CD1 4.24Å; F867-L878 HydrophobicContact CE1-CD2 3.74Å; F867-L878 HydrophobicContact CE1-CG 3.93Å; F867-L878 HydrophobicContact CZ-CD2 3.68Å; F867-L878 HydrophobicContact CZ-CG 3.92Å; L878-I890 HydrophobicContact CB-CG2 3.77Å; L878-I890 HydrophobicContact CD1-CG2 3.86Å; L878-I890 HydrophobicContact CG-CG2 4.42Å; L878-L971 HydrophobicContact CD1-CD1 4.16Å; L878-L971 HydrophobicContact CD1-CD2 4.1Å; L878-L971 HydrophobicContact CG-CD1 4.16Å; L878-I972 PolarHBondContact N-O 3.38Å; L878-I973 WeakPolarHBondContact O-CA 3.29Å; L878-Q974 PolarHBondContact O-N 2.83Å |
| 879 | I | 82.4 | Confident | 76.9 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.9 | 177.5 | -52.6 | 176.3 | 0 | 0 | 0 | 107.3 | Q974 D976 | I879-Q974 HydrophobicContact CG1-CB 4.3Å; I879-D976 HydrophobicContact CG2-CB 4.26Å; I879-D976 WeakPolarHBondContact CG2-OD2 3.33Å |
| 880 | T | 84.3 | Confident | 77.5 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155.9 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 108.6 | E884 I890 I973 Q974 L975 D976 | T880-E884 PolarHBondContact OG1-OE1 3.22Å; T880-E884 PolarHBondContact OG1-OE2 2.88Å; T880-I890 HydrophobicContact CG2-CD1 4.36Å; T880-I890 HydrophobicContact CG2-CG1 4.15Å; T880-I890 HydrophobicContact CG2-CG2 3.79Å; T880-I973 HydrophobicContact CG2-CG2 3.76Å; T880-Q974 PolarHBondContact N-O 2.91Å; T880-Q974 VanDerWaalsContact N-O 3.14Å; T880-L975 HydrophobicContact CG2-CD2 3.56Å; T880-L975 WeakPolarHBondContact O-CA 3.37Å; T880-D976 PolarHBondContact O-N 2.91Å |
| 881 | S | 82 | Confident | 78.3 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.7 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | H883 E884 D976 M978 | S881-H883 PolarHBondContact O-N 2.94Å; S881-H883 PolarHBondContact OG-N 2.87Å; S881-H883 VanDerWaalsContact OG-N 3.12Å; S881-E884 PolarHBondContact N-OE1 2.91Å; S881-E884 WeakPolarHBondContact O-CB 3.45Å; S881-E884 PolarHBondContact O-N 2.88Å; S881-D976 CarbonylContact C-O 3.58Å; S881-D976 WeakPolarHBondContact CA-O 3.48Å; S881-D976 PolarHBondContact OG-O 2.63Å; S881-M978 WeakPolarHBondContact CB-O 3.41Å; S881-M978 PolarHBondContact OG-O 2.81Å |
| 882 | C | 84.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -6.6 | 170.1 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | L938 N939 C942 L975 D976 | C882-L938 CarbonylContact O-C 3.48Å; C882-N939 WeakPolarHBondContact O-CA 3.2Å; C882-N939 VanDerWaalsContact O-CG 3.31Å; C882-N939 PolarHBondContact O-N 2.62Å; C882-N939 PolarHBondContact O-ND2 3.11Å; C882-C942 HydrophobicContact CB-CB 3.78Å; C882-C942 WeakPolarHBondContact CB-SG 3.46Å; C882-C942 VanDerWaalsContact SG-CA 3.59Å; C882-C942 WeakPolarHBondContact SG-CB 3.02Å; C882-C942 CovalentContact SG-SG 2.03Å; C882-C942 PolarHBondContact SG-SG 3.21Å; C882-L975 HydrophobicContact CB-CB 4.1Å; C882-D976 PolarHBondContact N-O 2.81Å |
| 883 | H | 80.9 | Confident | 80.5 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 7.3 | 174.8 | -71.1 | 93.9 | 0 | 0 | 0 | 114.2 | S881 N939 D977 | S881-H883 PolarHBondContact O-N 2.94Å; S881-H883 PolarHBondContact OG-N 2.87Å; S881-H883 VanDerWaalsContact OG-N 3.12Å; H883-N939 PolarHBondContact CD2-ND2 3.31Å; H883-N939 PolarHBondContact NE2-ND2 2.76Å; H883-D977 IonicContact CE1-OD1 3.1Å; H883-D977 PolarHBondContact CE1-OD1 2.75Å; H883-D977 IonicContact ND1-OD1 3.48Å; H883-D977 PolarHBondContact ND1-OD1 2.87Å |
| 884 | E | 81.3 | Confident | 82 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 158 | 173.5 | -84.7 | 179 | -122.8 | 0 | 0 | 113.5 | T880 S881 S888 I933 | T880-E884 PolarHBondContact OG1-OE1 3.22Å; T880-E884 PolarHBondContact OG1-OE2 2.88Å; S881-E884 PolarHBondContact N-OE1 2.91Å; S881-E884 WeakPolarHBondContact O-CB 3.45Å; S881-E884 PolarHBondContact O-N 2.88Å; E884-S888 VanDerWaalsContact OE2-CB 3.26Å; E884-S888 WeakPolarHBondContact OE2-CB 3.49Å; E884-I933 HydrophobicContact CB-CD1 3.38Å; E884-I933 HydrophobicContact CG-CD1 4.46Å |
| 885 | M | 81.3 | Confident | 83.7 | Confident | 134 Ų | 134 | 48.5 Ų | 48.5 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 154.3 | -173.9 | -56.4 | -177.4 | 73.3 | 0 | 0 | 111 | G887 S888 | M885-G887 PolarHBondContact O-N 2.8Å; M885-S888 PolarHBondContact N-OG 3.12Å; M885-S888 VanDerWaalsContact O-CB 3.3Å; M885-S888 WeakPolarHBondContact O-CB 3.41Å; M885-S888 PolarHBondContact O-N 3.07Å; M885-S888 PolarHBondContact O-OG 3.4Å |
| 886 | I | 85.1 | Confident | 84.8 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.8 | 168.4 | -64.9 | 163.9 | 0 | 0 | 0 | 109 | N936 | I886-N936 HydrophobicContact CD1-CB 3.81Å; I886-N936 HydrophobicContact CG1-CB 4.47Å |
| 887 | G | 82.8 | Confident | 85.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 1.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M885 I933 | M885-G887 PolarHBondContact O-N 2.8Å; G887-I933 PolarHBondContact N-O 2.6Å |
| 888 | S | 85.3 | Confident | 85.5 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | trans | -73.2 | 142.8 | 168.3 | -41.7 | 0 | 0 | 0 | 0 | 109.9 | E884 M885 F932 I933 | E884-S888 VanDerWaalsContact OE2-CB 3.26Å; E884-S888 WeakPolarHBondContact OE2-CB 3.49Å; M885-S888 PolarHBondContact N-OG 3.12Å; M885-S888 VanDerWaalsContact O-CB 3.3Å; M885-S888 WeakPolarHBondContact O-CB 3.41Å; M885-S888 PolarHBondContact O-N 3.07Å; M885-S888 PolarHBondContact O-OG 3.4Å; S888-F932 WeakPolarHBondContact O-CA 3.37Å; S888-I933 PolarHBondContact O-N 3.45Å | ||
| 889 | S | 86.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.2 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | E930 | S889-E930 WeakPolarHBondContact CB-OE1 3.4Å; S889-E930 VanDerWaalsContact OG-CD 3.31Å; S889-E930 VanDerWaalsContact OG-CG 3.24Å; S889-E930 WeakPolarHBondContact OG-CG 3.24Å; S889-E930 PolarHBondContact OG-OE1 2.92Å |
| 890 | I | 85.3 | Confident | 86.1 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -24.9 | -177.8 | -56.7 | 174.5 | 0 | 0 | 0 | 110.7 | L878 T880 F922 L931 I933 I973 | L878-I890 HydrophobicContact CB-CG2 3.77Å; L878-I890 HydrophobicContact CD1-CG2 3.86Å; L878-I890 HydrophobicContact CG-CG2 4.42Å; T880-I890 HydrophobicContact CG2-CD1 4.36Å; T880-I890 HydrophobicContact CG2-CG1 4.15Å; T880-I890 HydrophobicContact CG2-CG2 3.79Å; I890-F922 HydrophobicContact CD1-CD1 3.25Å; I890-F922 HydrophobicContact CD1-CE1 3.35Å; I890-F922 HydrophobicContact CD1-CG 4.29Å; I890-F922 HydrophobicContact CD1-CZ 4.46Å; I890-L931 HydrophobicContact CB-CD2 4.39Å; I890-L931 WeakPolarHBondContact CB-O 3.21Å; I890-L931 HydrophobicContact CD1-CD2 4.09Å; I890-L931 HydrophobicContact CD1-CG 4.37Å; I890-L931 HydrophobicContact CG2-CD2 4.48Å; I890-L931 PolarHBondContact N-O 2.69Å; I890-I933 HydrophobicContact CD1-CG1 3.71Å; I890-I933 HydrophobicContact CG1-CD1 4.29Å; I890-I933 HydrophobicContact CG1-CG1 3.79Å; I890-I973 HydrophobicContact CD1-CD1 4.46Å; I890-I973 HydrophobicContact CG2-CG2 4.24Å |
| 891 | G | 84.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.7 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L931 | G891-L931 PolarHBondContact O-N 2.73Å |
| 892 | Q | 87.7 | Confident | 86.5 | Confident | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | -174.1 | -165.2 | -171.7 | 21.7 | 0 | 0 | 110.6 | F867 Q894 T928 | F867-Q892 WeakPolarHBondContact CD1-O 3.4Å; Q892-Q894 HydrophobicContact CG-CG 4.29Å; Q892-T928 WeakPolarHBondContact CG-O 3.21Å; Q892-T928 PolarHBondContact NE2-O 3.48Å |
| 893 | I | 89.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | trans | -78.9 | 136 | 166.1 | -63.3 | 165.3 | 0 | 0 | 0 | 107.5 | F865 F867 Y908 L924 G929 I950 L971 | F865-I893 HydrophobicContact CD1-CG2 4.09Å; F865-I893 HydrophobicContact CE1-CG2 3.75Å; F867-I893 WeakPolarHBondContact O-CG2 3.39Å; I893-Y908 HydrophobicContact CB-CD1 4.18Å; I893-Y908 HydrophobicContact CB-CE1 4.36Å; I893-Y908 HydrophobicContact CG2-CD1 3.61Å; I893-Y908 HydrophobicContact CG2-CE1 3.78Å; I893-Y908 WeakPolarHBondContact O-CE1 3.37Å; I893-L924 HydrophobicContact CD1-CD1 3.77Å; I893-L924 HydrophobicContact CD1-CD2 3.69Å; I893-L924 HydrophobicContact CD1-CG 4.39Å; I893-G929 PolarHBondContact N-O 3.35Å; I893-I950 HydrophobicContact CD1-CB 4.4Å; I893-I950 HydrophobicContact CD1-CD1 3.65Å; I893-I950 HydrophobicContact CD1-CG2 3.88Å; I893-I950 HydrophobicContact CG1-CD1 4.02Å; I893-I950 HydrophobicContact CG2-CD1 3.82Å; I893-L971 HydrophobicContact CD1-CD2 3.97Å; I893-L971 HydrophobicContact CG1-CD2 4.04Å | ||
| 894 | Q | 89.2 | Confident | 87 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.4 | -174.1 | -65.8 | -178.1 | -11.5 | 0 | 0 | 109.9 | I866 F867 Q892 | I866-Q894 WeakPolarHBondContact CA-O 3.34Å; I866-Q894 HydrophobicContact CB-CB 4Å; I866-Q894 WeakPolarHBondContact CB-O 3.29Å; I866-Q894 HydrophobicContact CG2-CB 4.42Å; I866-Q894 PolarHBondContact N-O 3.01Å; F867-Q894 PolarHBondContact N-O 2.88Å; F867-Q894 PolarHBondContact O-N 2.92Å; Q892-Q894 HydrophobicContact CG-CG 4.29Å |
| 895 | G | 88.3 | Confident | 87.4 | Confident | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 168.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T864 Y908 | T864-G895 CarbonylContact O-C 3.54Å; T864-G895 WeakPolarHBondContact O-CA 3.49Å; G895-Y908 PolarHBondContact N-OH 3Å |
| 896 | Y | 89.4 | Confident | 87.7 | Confident | 131 Ų | 131 | 47.8 Ų | 47.8 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.9 | 167.1 | 178.4 | -104.7 | 0 | 0 | 0 | 110.2 | T864 P898 I906 | T864-Y896 PolarHBondContact N-O 3.29Å; T864-Y896 PolarHBondContact O-N 3.06Å; T864-Y896 PolarHBondContact OG1-O 3.24Å; Y896-P898 HydrophobicContact CE1-CB 4Å; Y896-I906 VanDerWaalsContact N-CD1 3.33Å |
| 897 | D | 90.7 | Very high | 87.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | trans | -130.2 | 133.4 | 167.3 | -167.8 | -62.6 | 0 | 0 | 0 | 106.6 | I862 P863 D899 I906 | I862-D897 WeakPolarHBondContact CA-OD2 3.26Å; P863-D897 WeakPolarHBondContact CA-OD2 3.16Å; P863-D897 HydrophobicContact CB-CB 4.33Å; P863-D897 WeakPolarHBondContact CD-OD2 3.27Å; P863-D897 HydrophobicContact CG-CB 4.21Å; P863-D897 WeakPolarHBondContact CG-OD2 3.36Å; D897-D899 WeakPolarHBondContact OD1-CB 3.41Å; D897-D899 PolarHBondContact OD1-N 2.69Å; D897-I906 HydrophobicContact CB-CD1 4.29Å; D897-I906 HydrophobicContact CB-CG1 4.14Å | ||
| 898 | P | 89.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | trans | -79.8 | -16.6 | -177.9 | 34 | -37.7 | 0 | 0 | 0 | 114.4 | R818 E819 N861 Y896 | R818-P898 PolarHBondContact NH2-O 3.4Å; E819-P898 HydrophobicContact CG-CB 3.88Å; E819-P898 HydrophobicContact CG-CG 4.14Å; N861-P898 HydrophobicContact CB-CG 3.46Å; N861-P898 VanDerWaalsContact CB-CG 3.46Å; Y896-P898 HydrophobicContact CE1-CB 4Å | ||
| 899 | D | 91.3 | Very high | 88.5 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -69.7 | 168.5 | -171.7 | -61.7 | -5.6 | 0 | 0 | 0 | 111.6 | N859 D860 N861 D897 N903 G904 | N859-D899 VanDerWaalsContact CA-OD2 3.28Å; N859-D899 WeakPolarHBondContact CA-OD2 3.36Å; D860-D899 PolarHBondContact N-OD2 2.79Å; D860-D899 VanDerWaalsContact N-OD2 3.08Å; N861-D899 VanDerWaalsContact CB-OD1 3.32Å; N861-D899 WeakPolarHBondContact CB-OD1 3.5Å; N861-D899 PolarHBondContact N-OD2 3.33Å; N861-D899 VanDerWaalsContact N-OD2 3.11Å; N861-D899 PolarHBondContact ND2-OD1 3.44Å; D897-D899 WeakPolarHBondContact OD1-CB 3.41Å; D897-D899 PolarHBondContact OD1-N 2.69Å; D899-N903 HydrophobicContact CB-CB 3.57Å; D899-G904 WeakPolarHBondContact O-CA 3.32Å; D899-G904 PolarHBondContact O-N 3.03Å |
| 900 | L | 89 | Confident | 88.4 | Confident | 111 Ų | 111 | 45.8 Ų | 45.8 | 58% | 0.581 | 25% | 0.252 | S | S | * | . | trans | -96.7 | 153.7 | -175.9 | -105.1 | 167.9 | 0 | 0 | 0 | 113.7 | R818 D857 I902 N903 G904 | R818-L900 VanDerWaalsContact NH1-CB 3.29Å; R818-L900 VanDerWaalsContact NH1-CG 3.26Å; D857-L900 HydrophobicContact CB-CB 4.26Å; D857-L900 VanDerWaalsContact OD1-CB 3.31Å; D857-L900 WeakPolarHBondContact OD1-CB 3.32Å; D857-L900 PolarHBondContact OD1-N 2.76Å; D857-L900 PolarHBondContact OD2-N 3.25Å; L900-I902 PolarHBondContact O-N 2.82Å; L900-N903 WeakPolarHBondContact O-CB 3.42Å; L900-N903 PolarHBondContact O-N 2.83Å; L900-G904 PolarHBondContact O-N 2.73Å | ||
| 901 | G | 87 | Confident | 88 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -126.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N903 G904 T905 | G901-N903 PolarHBondContact O-N 2.93Å; G901-G904 PolarHBondContact O-N 3.33Å; G901-T905 WeakPolarHBondContact O-CB 3.31Å; G901-T905 PolarHBondContact O-N 2.92Å; G901-T905 VanDerWaalsContact O-N 3.07Å; G901-T905 PolarHBondContact O-OG1 2.95Å |
| 902 | I | 88.1 | Confident | 87.2 | Confident | 95 Ų | 95 | 55 Ų | 55 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.4 | -180 | 59.6 | 172.6 | 0 | 0 | 0 | 113.2 | L900 T905 Q955 G956 | L900-I902 PolarHBondContact O-N 2.82Å; I902-T905 PolarHBondContact O-N 2.88Å; I902-Q955 HydrophobicContact CB-CB 4.02Å; I902-Q955 CarbonylContact O-C 3.52Å; I902-Q955 VanDerWaalsContact O-CA 3.31Å; I902-Q955 WeakPolarHBondContact O-CA 3.07Å; I902-Q955 VanDerWaalsContact O-CB 3.32Å; I902-Q955 WeakPolarHBondContact O-CB 3.13Å; I902-Q955 PolarHBondContact O-N 3.08Å; I902-G956 PolarHBondContact O-N 3.35Å |
| 903 | N | 87.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.8 | -41.2 | -179.2 | -61 | -18.4 | 0 | 0 | 0 | 110.2 | D857 N859 D899 L900 G901 T905 D954 G956 | D857-N903 PolarHBondContact OD2-ND2 2.58Å; N859-N903 HydrophobicContact CB-CB 3.9Å; N859-N903 VanDerWaalsContact CB-CG 3.47Å; N859-N903 WeakPolarHBondContact OD1-CA 3.31Å; N859-N903 WeakPolarHBondContact OD1-CB 3.32Å; N859-N903 PolarHBondContact OD1-OD1 3.32Å; D899-N903 HydrophobicContact CB-CB 3.57Å; L900-N903 WeakPolarHBondContact O-CB 3.42Å; L900-N903 PolarHBondContact O-N 2.83Å; G901-N903 PolarHBondContact O-N 2.93Å; N903-T905 PolarHBondContact O-N 3.4Å; N903-D954 WeakPolarHBondContact O-CB 3.1Å; N903-G956 WeakPolarHBondContact OD1-CA 3.26Å |
| 904 | G | 86.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -81.8 | -1.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116 | D899 L900 G901 I906 | D899-G904 WeakPolarHBondContact O-CA 3.32Å; D899-G904 PolarHBondContact O-N 3.03Å; L900-G904 PolarHBondContact O-N 2.73Å; G901-G904 PolarHBondContact O-N 3.33Å; G904-I906 PolarHBondContact O-N 2.58Å |
| 905 | T | 89.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | trans | -86.7 | 102.5 | -174.7 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | G901 I902 N903 D954 Q955 | G901-T905 WeakPolarHBondContact O-CB 3.31Å; G901-T905 PolarHBondContact O-N 2.92Å; G901-T905 VanDerWaalsContact O-N 3.07Å; G901-T905 PolarHBondContact O-OG1 2.95Å; I902-T905 PolarHBondContact O-N 2.88Å; N903-T905 PolarHBondContact O-N 3.4Å; T905-D954 WeakPolarHBondContact O-CA 3.36Å; T905-Q955 HydrophobicContact CG2-CG 4.14Å; T905-Q955 VanDerWaalsContact CG2-NE2 3.32Å; T905-Q955 PolarHBondContact O-N 3.23Å; T905-Q955 VanDerWaalsContact O-N 3.11Å | ||
| 906 | I | 88.8 | Confident | 81 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.2 | -177.2 | -49.9 | 179 | 0 | 0 | 0 | 111.8 | P863 Y896 D897 G904 Y908 I952 | P863-I906 HydrophobicContact CB-CG1 4.37Å; P863-I906 HydrophobicContact CB-CG2 4.43Å; Y896-I906 VanDerWaalsContact N-CD1 3.33Å; D897-I906 HydrophobicContact CB-CD1 4.29Å; D897-I906 HydrophobicContact CB-CG1 4.14Å; G904-I906 PolarHBondContact O-N 2.58Å; I906-Y908 HydrophobicContact CG2-CE1 4.28Å; I906-Y908 HydrophobicContact CG2-CE2 4.46Å; I906-I952 HydrophobicContact CG2-CB 3.76Å; I906-I952 HydrophobicContact CG2-CG2 3.77Å |
| 907 | I | 89.7 | Confident | 79.4 | Confident | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.1 | 165 | -63.2 | 178.2 | 0 | 0 | 0 | 109.4 | H909 N926 I952 D953 Q955 | I907-H909 WeakPolarHBondContact CG2-CE1 3.3Å; I907-N926 HydrophobicContact CG2-CB 4.25Å; I907-I952 VanDerWaalsContact O-CA 3.31Å; I907-I952 WeakPolarHBondContact O-CA 3.38Å; I907-D953 PolarHBondContact N-O 2.84Å; I907-D953 PolarHBondContact O-N 2.84Å; I907-D953 VanDerWaalsContact O-N 3.16Å; I907-Q955 HydrophobicContact CD1-CG 3.58Å; I907-Q955 HydrophobicContact CG1-CG 3.87Å |
| 908 | Y | 91.2 | Very high | 77.4 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 9% | 0.09 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.5 | 174.7 | -56 | -86.2 | 0 | 0 | 0 | 111.6 | I893 G895 I906 N926 G929 I952 | I893-Y908 HydrophobicContact CB-CD1 4.18Å; I893-Y908 HydrophobicContact CB-CE1 4.36Å; I893-Y908 HydrophobicContact CG2-CD1 3.61Å; I893-Y908 HydrophobicContact CG2-CE1 3.78Å; I893-Y908 WeakPolarHBondContact O-CE1 3.37Å; G895-Y908 PolarHBondContact N-OH 3Å; I906-Y908 HydrophobicContact CG2-CE1 4.28Å; I906-Y908 HydrophobicContact CG2-CE2 4.46Å; Y908-N926 PolarHBondContact N-O 3.18Å; Y908-N926 VanDerWaalsContact O-CA 3.3Å; Y908-N926 WeakPolarHBondContact O-CA 3.44Å; Y908-N926 WeakPolarHBondContact O-CB 3.4Å; Y908-N926 VanDerWaalsContact O-CG 3.26Å; Y908-N926 PolarHBondContact O-OD1 3.28Å; Y908-G929 VanDerWaalsContact CD2-CA 3.49Å; Y908-I952 HydrophobicContact CD1-CG2 3.35Å; Y908-I952 HydrophobicContact CE1-CG2 3.66Å; Y908-I952 HydrophobicContact CG-CG2 4.2Å |
| 909 | H | 87.8 | Confident | 75.7 | Confident | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.319 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 139.3 | 177.3 | -70.4 | -22.1 | 0 | 0 | 0 | 112.3 | I907 M911 I950 S951 | I907-H909 WeakPolarHBondContact CG2-CE1 3.3Å; H909-M911 HydrophobicContact CB-CE 4.49Å; H909-I950 CarbonylContact O-C 3.59Å; H909-I950 VanDerWaalsContact O-CA 3.3Å; H909-I950 WeakPolarHBondContact O-CA 3.19Å; H909-S951 PolarHBondContact N-O 3.39Å; H909-S951 PolarHBondContact O-N 2.85Å |
| 910 | L | 85.8 | Confident | 74.8 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 29% | 0.288 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 105.6 | 172.7 | 178.6 | 61.5 | 0 | 0 | 0 | 109.4 | L924 L948 I950 | L910-L924 HydrophobicContact CB-CB 4.13Å; L910-L924 HydrophobicContact CB-CD2 4.17Å; L910-L948 HydrophobicContact CD1-CB 3.8Å; L910-L948 HydrophobicContact CD1-CD1 3.9Å; L910-L948 HydrophobicContact CD1-CD2 4.41Å; L910-L948 HydrophobicContact CD1-CG 4.26Å; L910-I950 HydrophobicContact CD1-CG2 3.95Å |
| 911 | M | 77.8 | Confident | 74.3 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -47.6 | -171.6 | -74.8 | -74.8 | 176.1 | 0 | 0 | 113.1 | H909 L949 S951 | H909-M911 HydrophobicContact CB-CE 4.49Å; M911-L949 HydrophobicContact CB-CB 4.35Å; M911-L949 HydrophobicContact CB-CD2 3.87Å; M911-L949 HydrophobicContact CB-CG 3.92Å; M911-L949 PolarHBondContact N-O 3.34Å; M911-S951 WeakPolarHBondContact CE-OG 3.31Å |
| 912 | M | 66.9 | Low | 74.3 | Confident | 138 Ų | 138 | 68.9 Ų | 68.9 | 68% | 0.68 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.9 | 179.1 | -80.8 | -162.5 | 170.3 | 0 | 0 | 112.8 | L949 | M912-L949 HydrophobicContact CB-CB 4.33Å; M912-L949 PolarHBondContact N-O 3.25Å; M912-L949 PolarHBondContact O-N 3.13Å |
| 913 | T | 60.8 | Low | 74.3 | Confident | 45 Ų | 45 | 69 Ų | 69 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 157.7 | 166 | 73.6 | 0 | 0 | 0 | 0 | 109.5 | S915 L948 | T913-S915 PolarHBondContact O-N 3.31Å; T913-L948 HydrophobicContact CG2-CD2 3.74Å |
| 914 | T | 58.8 | Low | 74.4 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.27 | 35% | 0.348 | S | S | . | . | trans | -53.2 | 139.4 | 179.6 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | Y916 T947 | T914-Y916 PolarHBondContact O-N 2.76Å; T914-T947 PolarHBondContact N-O 2.89Å | ||
| 915 | S | 51.7 | Low | 74.5 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 77% | 0.769 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 19.7 | -156.3 | 49 | 0 | 0 | 0 | 0 | 117 | T913 | T913-S915 PolarHBondContact O-N 3.31Š|
| 916 | Y | 53.4 | Low | 74.6 | Confident | 201 Ų | 201 | 70.5 Ų | 70.5 | 79% | 0.788 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -6.7 | -178.7 | -44.5 | -65.1 | 0 | 0 | 0 | 112.9 | T914 | T914-Y916 PolarHBondContact O-N 2.76Š|
| 917 | L | 54.9 | Low | 74.6 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | trans | -111.4 | 111.9 | -165.1 | -61.1 | 169.5 | 0 | 0 | 0 | 111.2 | Q919 L921 F941 I946 | L917-Q919 PolarHBondContact O-N 2.82Å; L917-L921 HydrophobicContact CD1-CD1 3.56Å; L917-L921 HydrophobicContact CD1-CG 4.1Å; L917-L921 HydrophobicContact CD2-CD1 3.92Å; L917-L921 HydrophobicContact CD2-CG 4.44Å; L917-L921 HydrophobicContact CG-CD1 4.35Å; L917-F941 HydrophobicContact CD2-CD1 4.49Å; L917-F941 HydrophobicContact CD2-CE1 3.57Å; L917-F941 HydrophobicContact CD2-CE2 4.19Å; L917-F941 HydrophobicContact CD2-CZ 3.39Å; L917-I946 HydrophobicContact CD1-CG2 4.38Å | ||
| 918 | K | 48.7 | Very low | 74.6 | Confident | 219 Ų | 219 | 76 Ų | 76 | 95% | 0.952 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -82.3 | 5 | 173.9 | -87.1 | -169.5 | 174.2 | -176.4 | 0 | 114.3 | ||
| 919 | Q | 54.7 | Low | 74.5 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -132.9 | 139 | 178.6 | -70.4 | -178.6 | -28.2 | 0 | 0 | 109.2 | L917 L921 | L917-Q919 PolarHBondContact O-N 2.82Å; Q919-L921 PolarHBondContact O-N 3.03Å |
| 920 | S | 71.7 | Confident | 74.6 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -63.7 | 106.9 | 168.6 | 149 | 0 | 0 | 0 | 0 | 107.9 | F922 N934 | S920-F922 VanDerWaalsContact C-N 3.26Å; S920-F922 PolarHBondContact OG-O 2.9Å; S920-N934 PolarHBondContact OG-ND2 3.27Å | ||
| 921 | L | 79.4 | Confident | 74.8 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -73.8 | -24.2 | 172.8 | -64.1 | -174.1 | 0 | 0 | 0 | 111.7 | L917 Q919 N934 F941 I946 | L917-L921 HydrophobicContact CD1-CD1 3.56Å; L917-L921 HydrophobicContact CD1-CG 4.1Å; L917-L921 HydrophobicContact CD2-CD1 3.92Å; L917-L921 HydrophobicContact CD2-CG 4.44Å; L917-L921 HydrophobicContact CG-CD1 4.35Å; Q919-L921 PolarHBondContact O-N 3.03Å; L921-N934 PolarHBondContact O-N 2.96Å; L921-F941 HydrophobicContact CD1-CD2 3.81Å; L921-F941 HydrophobicContact CD1-CE2 3.83Å; L921-F941 HydrophobicContact CD1-CG 4.34Å; L921-F941 HydrophobicContact CD1-CZ 4.38Å; L921-F941 HydrophobicContact CD2-CD2 4.45Å; L921-F941 HydrophobicContact CD2-CE2 3.99Å; L921-I946 HydrophobicContact CD1-CD1 3.66Å |
| 922 | F | 87 | Confident | 75.3 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149 | -175 | -49.6 | -65.7 | 0 | 0 | 0 | 111.5 | I890 S920 L931 F932 I933 L938 I946 L948 I973 | I890-F922 HydrophobicContact CD1-CD1 3.25Å; I890-F922 HydrophobicContact CD1-CE1 3.35Å; I890-F922 HydrophobicContact CD1-CG 4.29Å; I890-F922 HydrophobicContact CD1-CZ 4.46Å; S920-F922 VanDerWaalsContact C-N 3.26Å; S920-F922 PolarHBondContact OG-O 2.9Å; F922-L931 HydrophobicContact CB-CD1 4.16Å; F922-L931 HydrophobicContact CB-CG 4.43Å; F922-F932 CarbonylContact C-O 3.56Å; F922-F932 VanDerWaalsContact CA-O 3.26Å; F922-F932 WeakPolarHBondContact CA-O 3.46Å; F922-I933 HydrophobicContact CE1-CG1 4.49Å; F922-L938 HydrophobicContact CE1-CD1 3.82Å; F922-L938 HydrophobicContact CZ-CD1 3.98Å; F922-I946 HydrophobicContact CE2-CB 4.16Å; F922-I946 HydrophobicContact CE2-CD1 3.81Å; F922-I946 HydrophobicContact CE2-CG2 3.9Å; F922-I946 HydrophobicContact CZ-CD1 3.81Å; F922-L948 HydrophobicContact CB-CD1 4.29Å; F922-L948 HydrophobicContact CD2-CD1 3.96Å; F922-L948 HydrophobicContact CD2-CD2 3.83Å; F922-L948 HydrophobicContact CD2-CG 4.38Å; F922-L948 HydrophobicContact CE2-CD2 4.34Å; F922-L948 HydrophobicContact CG-CD1 4.36Å; F922-I973 HydrophobicContact CD1-CD1 4.19Å; F922-I973 HydrophobicContact CD2-CD1 3.69Å; F922-I973 HydrophobicContact CE1-CD1 4.06Å; F922-I973 HydrophobicContact CE1-CG2 4.32Å; F922-I973 HydrophobicContact CE2-CD1 3.52Å; F922-I973 HydrophobicContact CG-CD1 4Å; F922-I973 HydrophobicContact CZ-CB 4.34Å; F922-I973 HydrophobicContact CZ-CD1 3.72Å; F922-I973 HydrophobicContact CZ-CG2 3.95Å |
| 923 | H | 87.6 | Confident | 76.3 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.1 | 171.7 | 171.6 | 55.6 | 0 | 0 | 0 | 108.6 | F932 N934 | H923-F932 PolarHBondContact N-O 3.23Å; H923-F932 PolarHBondContact O-N 2.93Å; H923-N934 HydrophobicContact CB-CB 4.04Å |
| 924 | L | 89.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.3 | 174.1 | 177.6 | 53.3 | 0 | 0 | 0 | 108.5 | I893 L910 N926 G929 L931 I950 | I893-L924 HydrophobicContact CD1-CD1 3.77Å; I893-L924 HydrophobicContact CD1-CD2 3.69Å; I893-L924 HydrophobicContact CD1-CG 4.39Å; L910-L924 HydrophobicContact CB-CB 4.13Å; L910-L924 HydrophobicContact CB-CD2 4.17Å; L924-N926 PolarHBondContact O-N 3.01Å; L924-G929 VanDerWaalsContact CD1-C 3.48Å; L924-G929 VanDerWaalsContact CD1-O 3.32Å; L924-G929 WeakPolarHBondContact CD1-O 3.14Å; L924-L931 HydrophobicContact CB-CD1 3.87Å; L924-L931 HydrophobicContact CD1-CD1 4.27Å; L924-I950 HydrophobicContact CD2-CG2 4.28Å |
| 925 | D | 89.1 | Confident | 78.5 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | trans | -74.6 | 117.7 | 167.9 | 177.9 | -21.8 | 0 | 0 | 0 | 109.4 | N927 T928 G929 E930 F932 | D925-N927 PolarHBondContact O-N 2.91Å; D925-N927 PolarHBondContact OD1-N 2.98Å; D925-T928 WeakPolarHBondContact CB-OG1 3.43Å; D925-T928 PolarHBondContact OD1-N 3.46Å; D925-T928 VanDerWaalsContact OD1-N 3.12Å; D925-T928 VanDerWaalsContact OD2-CG2 3.27Å; D925-T928 WeakPolarHBondContact OD2-CG2 3.46Å; D925-T928 PolarHBondContact OD2-OG1 3.28Å; D925-G929 WeakPolarHBondContact O-CA 3.28Å; D925-G929 PolarHBondContact O-N 2.81Å; D925-E930 PolarHBondContact N-O 3.46Å; D925-F932 HydrophobicContact CB-CE2 4.28Å | ||
| 926 | N | 90.6 | Very high | 79.6 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.7 | -177.6 | -74.1 | 17.1 | 0 | 0 | 0 | 114.3 | I907 Y908 L924 | I907-N926 HydrophobicContact CG2-CB 4.25Å; Y908-N926 PolarHBondContact N-O 3.18Å; Y908-N926 VanDerWaalsContact O-CA 3.3Å; Y908-N926 WeakPolarHBondContact O-CA 3.44Å; Y908-N926 WeakPolarHBondContact O-CB 3.4Å; Y908-N926 VanDerWaalsContact O-CG 3.26Å; Y908-N926 PolarHBondContact O-OD1 3.28Å; L924-N926 PolarHBondContact O-N 3.01Å |
| 927 | N | 89.7 | Confident | 80.7 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 66% | 0.663 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -40.5 | -174.1 | -61.7 | -19.9 | 0 | 0 | 0 | 112.1 | D925 | D925-N927 PolarHBondContact O-N 2.91Å; D925-N927 PolarHBondContact OD1-N 2.98Å |
| 928 | T | 88.2 | Confident | 81.9 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -18.4 | -178.5 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | Q892 D925 E930 | Q892-T928 WeakPolarHBondContact CG-O 3.21Å; Q892-T928 PolarHBondContact NE2-O 3.48Å; D925-T928 WeakPolarHBondContact CB-OG1 3.43Å; D925-T928 PolarHBondContact OD1-N 3.46Å; D925-T928 VanDerWaalsContact OD1-N 3.12Å; D925-T928 VanDerWaalsContact OD2-CG2 3.27Å; D925-T928 WeakPolarHBondContact OD2-CG2 3.46Å; D925-T928 PolarHBondContact OD2-OG1 3.28Å; T928-E930 PolarHBondContact O-N 3.42Å; T928-E930 WeakPolarHBondContact OG1-CB 3.34Å; T928-E930 PolarHBondContact OG1-N 2.8Å |
| 929 | G | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 71.8 | 4.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I893 Y908 L924 D925 | I893-G929 PolarHBondContact N-O 3.35Å; Y908-G929 VanDerWaalsContact CD2-CA 3.49Å; L924-G929 VanDerWaalsContact CD1-C 3.48Å; L924-G929 VanDerWaalsContact CD1-O 3.32Å; L924-G929 WeakPolarHBondContact CD1-O 3.14Å; D925-G929 WeakPolarHBondContact O-CA 3.28Å; D925-G929 PolarHBondContact O-N 2.81Å | ||
| 930 | E | 90.6 | Very high | 84.4 | Confident | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133 | -177.9 | -165.8 | 168.1 | -161.9 | 0 | 0 | 111.6 | S889 D925 T928 F932 | S889-E930 WeakPolarHBondContact CB-OE1 3.4Å; S889-E930 VanDerWaalsContact OG-CD 3.31Å; S889-E930 VanDerWaalsContact OG-CG 3.24Å; S889-E930 WeakPolarHBondContact OG-CG 3.24Å; S889-E930 PolarHBondContact OG-OE1 2.92Å; D925-E930 PolarHBondContact N-O 3.46Å; T928-E930 PolarHBondContact O-N 3.42Å; T928-E930 WeakPolarHBondContact OG1-CB 3.34Å; T928-E930 PolarHBondContact OG1-N 2.8Å; E930-F932 HydrophobicContact CB-CE2 3.79Å; E930-F932 HydrophobicContact CB-CZ 3.87Å; E930-F932 VanDerWaalsContact CD-CZ 3.43Å; E930-F932 HydrophobicContact CG-CE1 4.01Å; E930-F932 HydrophobicContact CG-CE2 3.82Å; E930-F932 HydrophobicContact CG-CZ 3.51Å; E930-F932 WeakPolarHBondContact OE2-CZ 3.26Å |
| 931 | L | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.6 | -173.8 | -171 | 79.9 | 0 | 0 | 0 | 111.2 | I890 G891 F922 L924 L948 L971 I973 | I890-L931 HydrophobicContact CB-CD2 4.39Å; I890-L931 WeakPolarHBondContact CB-O 3.21Å; I890-L931 HydrophobicContact CD1-CD2 4.09Å; I890-L931 HydrophobicContact CD1-CG 4.37Å; I890-L931 HydrophobicContact CG2-CD2 4.48Å; I890-L931 PolarHBondContact N-O 2.69Å; G891-L931 PolarHBondContact O-N 2.73Å; F922-L931 HydrophobicContact CB-CD1 4.16Å; F922-L931 HydrophobicContact CB-CG 4.43Å; L924-L931 HydrophobicContact CB-CD1 3.87Å; L924-L931 HydrophobicContact CD1-CD1 4.27Å; L931-L948 HydrophobicContact CD1-CD1 4.1Å; L931-L948 HydrophobicContact CD2-CD1 3.99Å; L931-L971 HydrophobicContact CD2-CD2 3.95Å; L931-I973 HydrophobicContact CD2-CD1 3.56Å; L931-I973 HydrophobicContact CD2-CG1 4.33Å |
| 932 | F | 89.7 | Confident | 84.9 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150 | -175 | -57.9 | -85.7 | 0 | 0 | 0 | 113 | S888 F922 H923 D925 E930 N934 | S888-F932 WeakPolarHBondContact O-CA 3.37Å; F922-F932 CarbonylContact C-O 3.56Å; F922-F932 VanDerWaalsContact CA-O 3.26Å; F922-F932 WeakPolarHBondContact CA-O 3.46Å; H923-F932 PolarHBondContact N-O 3.23Å; H923-F932 PolarHBondContact O-N 2.93Å; D925-F932 HydrophobicContact CB-CE2 4.28Å; E930-F932 HydrophobicContact CB-CE2 3.79Å; E930-F932 HydrophobicContact CB-CZ 3.87Å; E930-F932 VanDerWaalsContact CD-CZ 3.43Å; E930-F932 HydrophobicContact CG-CE1 4.01Å; E930-F932 HydrophobicContact CG-CE2 3.82Å; E930-F932 HydrophobicContact CG-CZ 3.51Å; E930-F932 WeakPolarHBondContact OE2-CZ 3.26Å; F932-N934 PolarHBondContact O-N 2.89Å |
| 933 | I | 86.8 | Confident | 84.6 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.3 | 169.3 | -65.5 | 164.2 | 0 | 0 | 0 | 109.6 | E884 G887 S888 I890 F922 L938 | E884-I933 HydrophobicContact CB-CD1 3.38Å; E884-I933 HydrophobicContact CG-CD1 4.46Å; G887-I933 PolarHBondContact N-O 2.6Å; S888-I933 PolarHBondContact O-N 3.45Å; I890-I933 HydrophobicContact CD1-CG1 3.71Å; I890-I933 HydrophobicContact CG1-CD1 4.29Å; I890-I933 HydrophobicContact CG1-CG1 3.79Å; F922-I933 HydrophobicContact CE1-CG1 4.49Å; I933-L938 HydrophobicContact CD1-CD2 3.52Å; I933-L938 HydrophobicContact CG1-CD2 3.94Å; I933-L938 HydrophobicContact CG2-CD2 4.05Å |
| 934 | N | 86.5 | Confident | 84.4 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | trans | -112 | 3.2 | -175.1 | -164.3 | 34.5 | 0 | 0 | 0 | 113.9 | S920 L921 H923 F932 | S920-N934 PolarHBondContact OG-ND2 3.27Å; L921-N934 PolarHBondContact O-N 2.96Å; H923-N934 HydrophobicContact CB-CB 4.04Å; F932-N934 PolarHBondContact O-N 2.89Å | ||
| 935 | S | 79.4 | Confident | 84 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | trans | -137.9 | 140.5 | -177.4 | -179 | 0 | 0 | 0 | 0 | 113.4 | Q937 | S935-Q937 PolarHBondContact O-N 2.86Å; S935-Q937 PolarHBondContact OG-N 3.16Å; S935-Q937 VanDerWaalsContact OG-N 3.08Å | ||
| 936 | N | 75.3 | Confident | 83.8 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 1.9 | 170.4 | 61 | -6 | 0 | 0 | 0 | 113.3 | I886 | I886-N936 HydrophobicContact CD1-CB 3.81Å; I886-N936 HydrophobicContact CG1-CB 4.47Å |
| 937 | Q | 76.8 | Confident | 83.4 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5.9 | 177.9 | -56.8 | -160.6 | -8.2 | 0 | 0 | 113.2 | S935 N939 Q940 F941 | S935-Q937 PolarHBondContact O-N 2.86Å; S935-Q937 PolarHBondContact OG-N 3.16Å; S935-Q937 VanDerWaalsContact OG-N 3.08Å; Q937-N939 PolarHBondContact O-N 3.11Å; Q937-N939 VanDerWaalsContact O-N 3.17Å; Q937-Q940 HydrophobicContact CB-CG 4.36Å; Q937-Q940 VanDerWaalsContact O-CB 3.28Å; Q937-Q940 WeakPolarHBondContact O-CB 3.26Å; Q937-Q940 WeakPolarHBondContact O-CG 3.41Å; Q937-Q940 PolarHBondContact O-N 3.08Å; Q937-F941 HydrophobicContact CB-CE2 4.35Å; Q937-F941 VanDerWaalsContact O-CD2 3.24Å; Q937-F941 WeakPolarHBondContact O-CD2 3.5Å; Q937-F941 WeakPolarHBondContact O-CE2 3.43Å |
| 938 | L | 80.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.9 | -35.2 | -177.6 | -157.6 | 73.2 | 0 | 0 | 0 | 113 | C882 F922 I933 Q940 F941 L975 | C882-L938 CarbonylContact O-C 3.48Å; F922-L938 HydrophobicContact CE1-CD1 3.82Å; F922-L938 HydrophobicContact CZ-CD1 3.98Å; I933-L938 HydrophobicContact CD1-CD2 3.52Å; I933-L938 HydrophobicContact CG1-CD2 3.94Å; I933-L938 HydrophobicContact CG2-CD2 4.05Å; L938-Q940 PolarHBondContact O-N 2.78Å; L938-Q940 VanDerWaalsContact O-N 3.15Å; L938-F941 PolarHBondContact O-N 2.82Å; L938-L975 HydrophobicContact CD1-CD1 3.71Å; L938-L975 HydrophobicContact CD1-CD2 3.95Å; L938-L975 HydrophobicContact CD2-CD2 4.16Å; L938-L975 HydrophobicContact CG-CD1 4.02Å; L938-L975 HydrophobicContact CG-CD2 4.12Å |
| 939 | N | 77.4 | Confident | 83.1 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -59.8 | -21.9 | 174.8 | -51.2 | 75.1 | 0 | 0 | 0 | 113.8 | C882 H883 Q937 F941 C942 | C882-N939 WeakPolarHBondContact O-CA 3.2Å; C882-N939 VanDerWaalsContact O-CG 3.31Å; C882-N939 PolarHBondContact O-N 2.62Å; C882-N939 PolarHBondContact O-ND2 3.11Å; H883-N939 PolarHBondContact CD2-ND2 3.31Å; H883-N939 PolarHBondContact NE2-ND2 2.76Å; Q937-N939 PolarHBondContact O-N 3.11Å; Q937-N939 VanDerWaalsContact O-N 3.17Å; N939-F941 PolarHBondContact O-N 2.82Å; N939-C942 PolarHBondContact O-SG 2.8Å |
| 940 | Q | 78.9 | Confident | 83 | Confident | 121 Ų | 121 | 46.9 Ų | 46.9 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -73.9 | -12.7 | 175.2 | -56.1 | -177.8 | 22.8 | 0 | 0 | 112.3 | Q937 L938 Q944 | Q937-Q940 HydrophobicContact CB-CG 4.36Å; Q937-Q940 VanDerWaalsContact O-CB 3.28Å; Q937-Q940 WeakPolarHBondContact O-CB 3.26Å; Q937-Q940 WeakPolarHBondContact O-CG 3.41Å; Q937-Q940 PolarHBondContact O-N 3.08Å; L938-Q940 PolarHBondContact O-N 2.78Å; L938-Q940 VanDerWaalsContact O-N 3.15Å; Q940-Q944 PolarHBondContact O-NE2 2.81Å |
| 941 | F | 80.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -115.6 | 14.9 | -175.7 | -52.3 | -77 | 0 | 0 | 0 | 112.7 | L917 L921 Q937 L938 N939 G943 Q944 I946 L975 | L917-F941 HydrophobicContact CD2-CD1 4.49Å; L917-F941 HydrophobicContact CD2-CE1 3.57Å; L917-F941 HydrophobicContact CD2-CE2 4.19Å; L917-F941 HydrophobicContact CD2-CZ 3.39Å; L921-F941 HydrophobicContact CD1-CD2 3.81Å; L921-F941 HydrophobicContact CD1-CE2 3.83Å; L921-F941 HydrophobicContact CD1-CG 4.34Å; L921-F941 HydrophobicContact CD1-CZ 4.38Å; L921-F941 HydrophobicContact CD2-CD2 4.45Å; L921-F941 HydrophobicContact CD2-CE2 3.99Å; Q937-F941 HydrophobicContact CB-CE2 4.35Å; Q937-F941 VanDerWaalsContact O-CD2 3.24Å; Q937-F941 WeakPolarHBondContact O-CD2 3.5Å; Q937-F941 WeakPolarHBondContact O-CE2 3.43Å; L938-F941 PolarHBondContact O-N 2.82Å; N939-F941 PolarHBondContact O-N 2.82Å; F941-G943 PolarHBondContact O-N 2.85Å; F941-Q944 HydrophobicContact CB-CB 4.42Å; F941-Q944 VanDerWaalsContact O-CB 3.27Å; F941-Q944 WeakPolarHBondContact O-CB 3.28Å; F941-Q944 PolarHBondContact O-N 3.44Å; F941-I946 HydrophobicContact CB-CD1 4.37Å; F941-L975 HydrophobicContact CB-CD1 3.5Å; F941-L975 VanDerWaalsContact CB-CD1 3.5Å; F941-L975 WeakPolarHBondContact O-CB 3.29Å |
| 942 | C | 81.5 | Confident | 82.9 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 132.9 | 168.9 | -64 | 0 | 0 | 0 | 0 | 111.3 | C882 N939 Q944 | C882-C942 HydrophobicContact CB-CB 3.78Å; C882-C942 WeakPolarHBondContact CB-SG 3.46Å; C882-C942 VanDerWaalsContact SG-CA 3.59Å; C882-C942 WeakPolarHBondContact SG-CB 3.02Å; C882-C942 CovalentContact SG-SG 2.03Å; C882-C942 PolarHBondContact SG-SG 3.21Å; N939-C942 PolarHBondContact O-SG 2.8Å; C942-Q944 PolarHBondContact O-N 2.72Å |
| 943 | G | 79.8 | Confident | 82.9 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 3.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F941 L975 | F941-G943 PolarHBondContact O-N 2.85Å; G943-L975 PolarHBondContact N-O 2.76Å |
| 944 | Q | 83.6 | Confident | 83 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | trans | -98.2 | 166.2 | 176.9 | -54.6 | -172.6 | 35.6 | 0 | 0 | 111.9 | Q940 F941 C942 L975 | Q940-Q944 PolarHBondContact O-NE2 2.81Å; F941-Q944 HydrophobicContact CB-CB 4.42Å; F941-Q944 VanDerWaalsContact O-CB 3.27Å; F941-Q944 WeakPolarHBondContact O-CB 3.28Å; F941-Q944 PolarHBondContact O-N 3.44Å; C942-Q944 PolarHBondContact O-N 2.72Å; Q944-L975 PolarHBondContact O-N 3.05Å; Q944-L975 VanDerWaalsContact O-N 3.1Å | ||
| 945 | S | 81.9 | Confident | 83 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 44% | 0.441 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.3 | 170.7 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | I973 | S945-I973 CarbonylContact C-O 3.37Å; S945-I973 VanDerWaalsContact CA-O 3.3Å; S945-I973 WeakPolarHBondContact CA-O 3.21Å |
| 946 | I | 83.4 | Confident | 82.9 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.1 | -178.7 | -60 | 155.5 | 0 | 0 | 0 | 108.6 | L917 L921 F922 F941 L948 I973 L975 | L917-I946 HydrophobicContact CD1-CG2 4.38Å; L921-I946 HydrophobicContact CD1-CD1 3.66Å; F922-I946 HydrophobicContact CE2-CB 4.16Å; F922-I946 HydrophobicContact CE2-CD1 3.81Å; F922-I946 HydrophobicContact CE2-CG2 3.9Å; F922-I946 HydrophobicContact CZ-CD1 3.81Å; F941-I946 HydrophobicContact CB-CD1 4.37Å; I946-L948 HydrophobicContact CG2-CD2 4.1Å; I946-I973 PolarHBondContact N-O 3.46Å; I946-I973 PolarHBondContact O-N 3.35Å; I946-L975 HydrophobicContact CD1-CD1 3.59Å; I946-L975 HydrophobicContact CD1-CG 4.36Å |
| 947 | T | 82.6 | Confident | 82.9 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133 | 174.4 | -47.1 | 0 | 0 | 0 | 0 | 110.6 | T914 H970 L971 I972 | T914-T947 PolarHBondContact N-O 2.89Å; T947-H970 HydrophobicContact CG2-CB 3.98Å; T947-L971 CarbonylContact C-O 3.39Å; T947-L971 WeakPolarHBondContact CA-O 3.4Å; T947-I972 HydrophobicContact CG2-CG1 4.37Å |
| 948 | L | 85.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | 169.6 | -52.7 | -171.7 | 0 | 0 | 0 | 109.3 | L910 T913 F922 L931 I946 I950 H970 L971 I973 | L910-L948 HydrophobicContact CD1-CB 3.8Å; L910-L948 HydrophobicContact CD1-CD1 3.9Å; L910-L948 HydrophobicContact CD1-CD2 4.41Å; L910-L948 HydrophobicContact CD1-CG 4.26Å; T913-L948 HydrophobicContact CG2-CD2 3.74Å; F922-L948 HydrophobicContact CB-CD1 4.29Å; F922-L948 HydrophobicContact CD2-CD1 3.96Å; F922-L948 HydrophobicContact CD2-CD2 3.83Å; F922-L948 HydrophobicContact CD2-CG 4.38Å; F922-L948 HydrophobicContact CE2-CD2 4.34Å; F922-L948 HydrophobicContact CG-CD1 4.36Å; L931-L948 HydrophobicContact CD1-CD1 4.1Å; L931-L948 HydrophobicContact CD2-CD1 3.99Å; I946-L948 HydrophobicContact CG2-CD2 4.1Å; L948-I950 HydrophobicContact CB-CG2 4.4Å; L948-H970 WeakPolarHBondContact O-CA 3.44Å; L948-L971 HydrophobicContact CB-CB 4.43Å; L948-L971 PolarHBondContact N-O 3.43Å; L948-L971 PolarHBondContact O-N 2.85Å; L948-I973 HydrophobicContact CD1-CD1 3.51Å; L948-I973 HydrophobicContact CG-CD1 3.88Å |
| 949 | L | 86.2 | Confident | 81.4 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.5 | 164.9 | 177.7 | 67.5 | 0 | 0 | 0 | 108 | M911 M912 M968 | M911-L949 HydrophobicContact CB-CB 4.35Å; M911-L949 HydrophobicContact CB-CD2 3.87Å; M911-L949 HydrophobicContact CB-CG 3.92Å; M911-L949 PolarHBondContact N-O 3.34Å; M912-L949 HydrophobicContact CB-CB 4.33Å; M912-L949 PolarHBondContact N-O 3.25Å; M912-L949 PolarHBondContact O-N 3.13Å; L949-M968 HydrophobicContact CD1-CB 4.21Å |
| 950 | I | 88.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.8 | -179.5 | 55.9 | 165.3 | 0 | 0 | 0 | 110 | F865 P868 I893 H909 L910 L924 L948 M968 E969 L971 | F865-I950 HydrophobicContact CD1-CD1 4.43Å; F865-I950 HydrophobicContact CE1-CD1 3.65Å; F865-I950 HydrophobicContact CE1-CG1 4.25Å; F865-I950 HydrophobicContact CZ-CD1 4.03Å; F865-I950 HydrophobicContact CZ-CG1 4.11Å; P868-I950 VanDerWaalsContact CD-CD1 3.47Å; P868-I950 HydrophobicContact CG-CD1 3.58Å; I893-I950 HydrophobicContact CD1-CB 4.4Å; I893-I950 HydrophobicContact CD1-CD1 3.65Å; I893-I950 HydrophobicContact CD1-CG2 3.88Å; I893-I950 HydrophobicContact CG1-CD1 4.02Å; I893-I950 HydrophobicContact CG2-CD1 3.82Å; H909-I950 CarbonylContact O-C 3.59Å; H909-I950 VanDerWaalsContact O-CA 3.3Å; H909-I950 WeakPolarHBondContact O-CA 3.19Å; L910-I950 HydrophobicContact CD1-CG2 3.95Å; L924-I950 HydrophobicContact CD2-CG2 4.28Å; L948-I950 HydrophobicContact CB-CG2 4.4Å; I950-M968 VanDerWaalsContact O-CA 3.26Å; I950-M968 WeakPolarHBondContact O-CA 3.46Å; I950-E969 HydrophobicContact CG1-CB 4.37Å; I950-E969 VanDerWaalsContact CG1-O 3.28Å; I950-E969 WeakPolarHBondContact CG1-O 2.96Å; I950-E969 PolarHBondContact N-O 3.23Å; I950-E969 PolarHBondContact O-N 3.49Å; I950-L971 HydrophobicContact CD1-CB 4.27Å |
| 951 | S | 88.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.5 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | H909 M911 T967 | H909-S951 PolarHBondContact N-O 3.39Å; H909-S951 PolarHBondContact O-N 2.85Å; M911-S951 WeakPolarHBondContact CE-OG 3.31Å; S951-T967 CarbonylContact C-O 3.55Å; S951-T967 WeakPolarHBondContact CA-O 3.3Å; S951-T967 VanDerWaalsContact CB-O 3.25Å; S951-T967 WeakPolarHBondContact CB-O 3.31Å |
| 952 | I | 89.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.4 | 170.3 | 52.6 | 177.7 | 0 | 0 | 0 | 111 | P863 T864 F865 I906 I907 Y908 S966 T967 | P863-I952 HydrophobicContact CB-CB 4.28Å; P863-I952 HydrophobicContact CB-CD1 3.71Å; P863-I952 HydrophobicContact CB-CG1 3.88Å; T864-I952 VanDerWaalsContact C-CD1 3.47Å; T864-I952 WeakPolarHBondContact O-CD1 3.47Å; F865-I952 HydrophobicContact CD1-CD1 4.01Å; F865-I952 HydrophobicContact CD1-CG1 4.48Å; F865-I952 HydrophobicContact CD1-CG2 4.45Å; F865-I952 HydrophobicContact CD2-CD1 3.98Å; F865-I952 HydrophobicContact CD2-CG1 4.18Å; F865-I952 HydrophobicContact CE1-CB 4.47Å; F865-I952 HydrophobicContact CE1-CD1 4.1Å; F865-I952 HydrophobicContact CE1-CG1 4.09Å; F865-I952 HydrophobicContact CE1-CG2 3.7Å; F865-I952 HydrophobicContact CE2-CD1 4.08Å; F865-I952 HydrophobicContact CE2-CG1 3.77Å; F865-I952 HydrophobicContact CG-CD1 3.95Å; F865-I952 HydrophobicContact CZ-CB 4.26Å; F865-I952 HydrophobicContact CZ-CD1 4.15Å; F865-I952 HydrophobicContact CZ-CG1 3.73Å; F865-I952 HydrophobicContact CZ-CG2 3.9Å; I906-I952 HydrophobicContact CG2-CB 3.76Å; I906-I952 HydrophobicContact CG2-CG2 3.77Å; I907-I952 VanDerWaalsContact O-CA 3.31Å; I907-I952 WeakPolarHBondContact O-CA 3.38Å; Y908-I952 HydrophobicContact CD1-CG2 3.35Å; Y908-I952 HydrophobicContact CE1-CG2 3.66Å; Y908-I952 HydrophobicContact CG-CG2 4.2Å; I952-S966 VanDerWaalsContact O-CB 3.31Å; I952-S966 WeakPolarHBondContact O-CB 3.31Å; I952-T967 WeakPolarHBondContact CG1-OG1 3.45Å; I952-T967 PolarHBondContact N-O 3.08Å; I952-T967 PolarHBondContact O-N 2.8Å |
| 953 | D | 88.1 | Confident | 77 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.2 | 178.1 | -163.4 | 41.8 | 0 | 0 | 0 | 109.5 | I907 K961 | I907-D953 PolarHBondContact N-O 2.84Å; I907-D953 PolarHBondContact O-N 2.84Å; I907-D953 VanDerWaalsContact O-N 3.16Å; D953-K961 IonicContact OD1-NZ 3.06Å; D953-K961 PolarHBondContact OD1-NZ 3.07Å; D953-K961 IonicContact OD2-NZ 3.28Å; D953-K961 PolarHBondContact OD2-NZ 3.48Å |
| 954 | D | 89.1 | Confident | 75.9 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 166.7 | 177.9 | 60.1 | 88.1 | 0 | 0 | 0 | 113.1 | N859 P863 N903 T905 G956 K961 | N859-D954 PolarHBondContact ND2-OD1 2.73Å; N859-D954 PolarHBondContact OD1-OD1 3.2Å; N859-D954 VanDerWaalsContact OD1-OD1 3.13Å; P863-D954 HydrophobicContact CG-CB 3.93Å; N903-D954 WeakPolarHBondContact O-CB 3.1Å; T905-D954 WeakPolarHBondContact O-CA 3.36Å; D954-G956 VanDerWaalsContact C-N 3.31Å; D954-G956 WeakPolarHBondContact OD1-CA 3.28Å; D954-G956 PolarHBondContact OD1-N 2.96Å; D954-K961 PolarHBondContact O-NZ 2.88Å; D954-K961 WeakPolarHBondContact OD1-CE 3.32Å; D954-K961 IonicContact OD1-NZ 3.38Å; D954-K961 PolarHBondContact OD1-NZ 2.97Å; D954-K961 VanDerWaalsContact OD2-CE 3.31Å; D954-K961 WeakPolarHBondContact OD2-CE 3.21Å; D954-K961 IonicContact OD2-NZ 3.09Å; D954-K961 PolarHBondContact OD2-NZ 2.83Å |
| 955 | Q | 86.2 | Confident | 74.8 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.9 | 8.9 | 174.1 | -66 | -178 | 19.5 | 0 | 0 | 113.7 | I902 T905 I907 | I902-Q955 HydrophobicContact CB-CB 4.02Å; I902-Q955 CarbonylContact O-C 3.52Å; I902-Q955 VanDerWaalsContact O-CA 3.31Å; I902-Q955 WeakPolarHBondContact O-CA 3.07Å; I902-Q955 VanDerWaalsContact O-CB 3.32Å; I902-Q955 WeakPolarHBondContact O-CB 3.13Å; I902-Q955 PolarHBondContact O-N 3.08Å; T905-Q955 HydrophobicContact CG2-CG 4.14Å; T905-Q955 VanDerWaalsContact CG2-NE2 3.32Å; T905-Q955 PolarHBondContact O-N 3.23Å; T905-Q955 VanDerWaalsContact O-N 3.11Å; I907-Q955 HydrophobicContact CD1-CG 3.58Å; I907-Q955 HydrophobicContact CG1-CG 3.87Å |
| 956 | G | 78.8 | Confident | 74.1 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -66.5 | 157.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I902 N903 D954 Q958 K961 | I902-G956 PolarHBondContact O-N 3.35Å; N903-G956 WeakPolarHBondContact OD1-CA 3.26Å; D954-G956 VanDerWaalsContact C-N 3.31Å; D954-G956 WeakPolarHBondContact OD1-CA 3.28Å; D954-G956 PolarHBondContact OD1-N 2.96Å; G956-Q958 PolarHBondContact O-N 3.05Å; G956-K961 WeakPolarHBondContact O-CE 3.38Å |
| 957 | P | 75 | Confident | 73.8 | Confident | 73 Ų | 73 | 57 Ų | 57 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | trans | -68.3 | 124.8 | -175.1 | 27.7 | -34.3 | 0 | 0 | 0 | 111.5 | L959 S960 | P957-L959 PolarHBondContact O-N 2.67Å; P957-S960 PolarHBondContact O-N 3.37Å; P957-S960 PolarHBondContact O-OG 3.48Å | ||
| 958 | Q | 64.9 | Low | 73.8 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 66% | 0.659 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -19.6 | -178.4 | -70.9 | -82 | -46.6 | 0 | 0 | 116.6 | G956 S960 K961 | G956-Q958 PolarHBondContact O-N 3.05Å; Q958-S960 VanDerWaalsContact C-N 3.34Å; Q958-K961 PolarHBondContact O-N 3.17Å |
| 959 | L | 60.6 | Low | 73.7 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.2 | 173.6 | -75.5 | 162 | 0 | 0 | 0 | 114.4 | P957 I962 | P957-L959 PolarHBondContact O-N 2.67Å; L959-I962 VanDerWaalsContact O-CD1 3.27Å; L959-I962 WeakPolarHBondContact O-CD1 3.48Å; L959-I962 WeakPolarHBondContact O-CG1 3.41Å |
| 960 | S | 57.6 | Low | 73.6 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -33.4 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | N859 P957 Q958 I962 | N859-S960 WeakPolarHBondContact CB-OG 3.41Å; N859-S960 PolarHBondContact ND2-OG 3.42Å; N859-S960 VanDerWaalsContact ND2-OG 3.08Å; N859-S960 WeakPolarHBondContact O-CB 3.26Å; P957-S960 PolarHBondContact O-N 3.37Å; P957-S960 PolarHBondContact O-OG 3.48Å; Q958-S960 VanDerWaalsContact C-N 3.34Å; S960-I962 PolarHBondContact O-N 2.93Å |
| 961 | K | 58.4 | Low | 73.5 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 10% | 0.104 | 35% | 0.352 | C | S | . | . | trans | -69.3 | 8.5 | -177.2 | -48.7 | -162.4 | -167.9 | -150.2 | 0 | 115 | D953 D954 G956 Q958 G963 K964 | D953-K961 IonicContact OD1-NZ 3.06Å; D953-K961 PolarHBondContact OD1-NZ 3.07Å; D953-K961 IonicContact OD2-NZ 3.28Å; D953-K961 PolarHBondContact OD2-NZ 3.48Å; D954-K961 PolarHBondContact O-NZ 2.88Å; D954-K961 WeakPolarHBondContact OD1-CE 3.32Å; D954-K961 IonicContact OD1-NZ 3.38Å; D954-K961 PolarHBondContact OD1-NZ 2.97Å; D954-K961 VanDerWaalsContact OD2-CE 3.31Å; D954-K961 WeakPolarHBondContact OD2-CE 3.21Å; D954-K961 IonicContact OD2-NZ 3.09Å; D954-K961 PolarHBondContact OD2-NZ 2.83Å; G956-K961 WeakPolarHBondContact O-CE 3.38Å; Q958-K961 PolarHBondContact O-N 3.17Å; K961-G963 PolarHBondContact O-N 3.07Å; K961-K964 PolarHBondContact O-N 2.82Å | ||
| 962 | I | 53.3 | Low | 73.3 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 105.4 | -172.9 | -62.3 | 176.4 | 0 | 0 | 0 | 110.3 | L959 S960 | L959-I962 VanDerWaalsContact O-CD1 3.27Å; L959-I962 WeakPolarHBondContact O-CD1 3.48Å; L959-I962 WeakPolarHBondContact O-CG1 3.41Å; S960-I962 PolarHBondContact O-N 2.93Å |
| 963 | G | 56.6 | Low | 73.1 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.9 | -0.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K961 | K961-G963 PolarHBondContact O-N 3.07Š|
| 964 | K | 56.5 | Low | 73 | Confident | 88 Ų | 88 | 68 Ų | 68 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | trans | -111.2 | 146 | 171.9 | -56.6 | -168.4 | -172.5 | -172.5 | 0 | 110.4 | D860 N861 I862 K961 | D860-K964 PolarHBondContact O-NZ 2.86Å; N861-K964 PolarHBondContact O-NZ 3.33Å; I862-K964 HydrophobicContact CG1-CD 4.34Å; I862-K964 HydrophobicContact CG2-CB 3.95Å; I862-K964 HydrophobicContact CG2-CD 3.62Å; I862-K964 HydrophobicContact CG2-CG 4.45Å; K961-K964 PolarHBondContact O-N 2.82Å | ||
| 965 | H | 60.6 | Low | 72.7 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 76% | 0.764 | 36% | 0.362 | S | S | * | . | trans | -115 | 145.8 | 178.4 | -67.6 | -63 | 0 | 0 | 0 | 110 | T967 | H965-T967 PolarHBondContact O-N 3.48Š| ||
| 966 | S | 65.8 | Low | 72.5 | Confident | 38 Ų | 38 | 66.2 Ų | 66.2 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -54.9 | 134.7 | 172.5 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | I952 | I952-S966 VanDerWaalsContact O-CB 3.31Å; I952-S966 WeakPolarHBondContact O-CB 3.31Å | ||
| 967 | T | 78.6 | Confident | 72.5 | Confident | 36 Ų | 36 | 71 Ų | 71 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 145.5 | -174.7 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | I862 P863 S951 I952 H965 | I862-T967 HydrophobicContact CD1-CG2 4.5Å; P863-T967 WeakPolarHBondContact O-CG2 2.54Å; P863-T967 PolarHBondContact O-OG1 2.69Å; S951-T967 CarbonylContact C-O 3.55Å; S951-T967 WeakPolarHBondContact CA-O 3.3Å; S951-T967 VanDerWaalsContact CB-O 3.25Å; S951-T967 WeakPolarHBondContact CB-O 3.31Å; I952-T967 WeakPolarHBondContact CG1-OG1 3.45Å; I952-T967 PolarHBondContact N-O 3.08Å; I952-T967 PolarHBondContact O-N 2.8Å; H965-T967 PolarHBondContact O-N 3.48Å |
| 968 | M | 82.2 | Confident | 72.1 | Confident | 110 Ų | 110 | 73 Ų | 73 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.5 | -175.2 | -48.7 | -173.4 | -159.4 | 0 | 0 | 111 | L949 I950 | L949-M968 HydrophobicContact CD1-CB 4.21Å; I950-M968 VanDerWaalsContact O-CA 3.26Å; I950-M968 WeakPolarHBondContact O-CA 3.46Å |
| 969 | E | 83.8 | Confident | 71.7 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 23% | 0.229 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162 | 177.6 | -106.4 | -75.3 | -146.6 | 0 | 0 | 111.6 | F865 P868 G870 N876 I950 | F865-E969 HydrophobicContact CD2-CB 3.87Å; F865-E969 HydrophobicContact CD2-CG 3.9Å; F865-E969 HydrophobicContact CE2-CB 3.81Å; F865-E969 HydrophobicContact CE2-CG 4.31Å; F865-E969 HydrophobicContact CG-CB 4.34Å; F865-E969 HydrophobicContact CG-CG 4.34Å; F865-E969 HydrophobicContact CZ-CB 4.23Å; P868-E969 HydrophobicContact CG-CB 4.04Å; G870-E969 PolarHBondContact N-OE1 2.89Å; N876-E969 PolarHBondContact ND2-OE1 2.7Å; N876-E969 PolarHBondContact ND2-OE2 2.94Å; I950-E969 HydrophobicContact CG1-CB 4.37Å; I950-E969 VanDerWaalsContact CG1-O 3.28Å; I950-E969 WeakPolarHBondContact CG1-O 2.96Å; I950-E969 PolarHBondContact N-O 3.23Å; I950-E969 PolarHBondContact O-N 3.49Å |
| 970 | H | 83.9 | Confident | 71.6 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.7 | 175.3 | -72.9 | 155.8 | 0 | 0 | 0 | 110.9 | N876 T947 L948 | N876-H970 WeakPolarHBondContact CB-O 3.45Å; N876-H970 PolarHBondContact ND2-O 2.87Å; T947-H970 HydrophobicContact CG2-CB 3.98Å; L948-H970 WeakPolarHBondContact O-CA 3.44Å |
| 971 | L | 85.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.8 | 172.3 | -176.6 | 64.4 | 0 | 0 | 0 | 110.2 | F867 P868 L878 I893 L931 T947 L948 I950 | F867-L971 HydrophobicContact CE1-CD1 3.9Å; F867-L971 HydrophobicContact CZ-CD1 4.08Å; P868-L971 HydrophobicContact CB-CD1 3.95Å; P868-L971 HydrophobicContact CG-CB 4.18Å; P868-L971 HydrophobicContact CG-CD1 4.05Å; L878-L971 HydrophobicContact CD1-CD1 4.16Å; L878-L971 HydrophobicContact CD1-CD2 4.1Å; L878-L971 HydrophobicContact CG-CD1 4.16Å; I893-L971 HydrophobicContact CD1-CD2 3.97Å; I893-L971 HydrophobicContact CG1-CD2 4.04Å; L931-L971 HydrophobicContact CD2-CD2 3.95Å; T947-L971 CarbonylContact C-O 3.39Å; T947-L971 WeakPolarHBondContact CA-O 3.4Å; L948-L971 HydrophobicContact CB-CB 4.43Å; L948-L971 PolarHBondContact N-O 3.43Å; L948-L971 PolarHBondContact O-N 2.85Å; I950-L971 HydrophobicContact CD1-CB 4.27Å |
| 972 | I | 84.4 | Confident | 69.7 | Low | 44 Ų | 44 | 82.5 Ų | 82.5 | 23% | 0.226 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.7 | 178.9 | -56.1 | 174.5 | 0 | 0 | 0 | 109 | N876 R877 L878 T947 | N876-I972 WeakPolarHBondContact O-CB 3.49Å; N876-I972 PolarHBondContact O-N 3.08Å; R877-I972 VanDerWaalsContact CA-O 3.29Å; R877-I972 WeakPolarHBondContact CA-O 3.2Å; R877-I972 HydrophobicContact CG-CB 4Å; R877-I972 HydrophobicContact CG-CG2 4.18Å; L878-I972 PolarHBondContact N-O 3.38Å; T947-I972 HydrophobicContact CG2-CG1 4.37Å |
| 973 | I | 86 | Confident | 68.7 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.1 | 176.6 | -59.1 | 162.3 | 0 | 0 | 0 | 108.2 | L878 T880 I890 F922 L931 S945 I946 L948 L975 | L878-I973 WeakPolarHBondContact O-CA 3.29Å; T880-I973 HydrophobicContact CG2-CG2 3.76Å; I890-I973 HydrophobicContact CD1-CD1 4.46Å; I890-I973 HydrophobicContact CG2-CG2 4.24Å; F922-I973 HydrophobicContact CD1-CD1 4.19Å; F922-I973 HydrophobicContact CD2-CD1 3.69Å; F922-I973 HydrophobicContact CE1-CD1 4.06Å; F922-I973 HydrophobicContact CE1-CG2 4.32Å; F922-I973 HydrophobicContact CE2-CD1 3.52Å; F922-I973 HydrophobicContact CG-CD1 4Å; F922-I973 HydrophobicContact CZ-CB 4.34Å; F922-I973 HydrophobicContact CZ-CD1 3.72Å; F922-I973 HydrophobicContact CZ-CG2 3.95Å; L931-I973 HydrophobicContact CD2-CD1 3.56Å; L931-I973 HydrophobicContact CD2-CG1 4.33Å; S945-I973 CarbonylContact C-O 3.37Å; S945-I973 VanDerWaalsContact CA-O 3.3Å; S945-I973 WeakPolarHBondContact CA-O 3.21Å; I946-I973 PolarHBondContact N-O 3.46Å; I946-I973 PolarHBondContact O-N 3.35Å; L948-I973 HydrophobicContact CD1-CD1 3.51Å; L948-I973 HydrophobicContact CG-CD1 3.88Å; I973-L975 HydrophobicContact CG2-CD2 3.86Å |
| 974 | Q | 84.8 | Confident | 67.5 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 23% | 0.229 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.7 | 175.1 | -175.5 | 179.6 | -48.3 | 0 | 0 | 109.5 | L878 I879 T880 D976 | L878-Q974 PolarHBondContact O-N 2.83Å; I879-Q974 HydrophobicContact CG1-CB 4.3Å; T880-Q974 PolarHBondContact N-O 2.91Å; T880-Q974 VanDerWaalsContact N-O 3.14Å; Q974-D976 WeakPolarHBondContact CG-OD1 3.27Å; Q974-D976 PolarHBondContact NE2-OD1 3.01Å |
| 975 | L | 84 | Confident | 66.5 | Low | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 93 | -175.7 | -63.7 | -175.5 | 0 | 0 | 0 | 110.7 | T880 C882 L938 F941 G943 Q944 I946 I973 | T880-L975 HydrophobicContact CG2-CD2 3.56Å; T880-L975 WeakPolarHBondContact O-CA 3.37Å; C882-L975 HydrophobicContact CB-CB 4.1Å; L938-L975 HydrophobicContact CD1-CD1 3.71Å; L938-L975 HydrophobicContact CD1-CD2 3.95Å; L938-L975 HydrophobicContact CD2-CD2 4.16Å; L938-L975 HydrophobicContact CG-CD1 4.02Å; L938-L975 HydrophobicContact CG-CD2 4.12Å; F941-L975 HydrophobicContact CB-CD1 3.5Å; F941-L975 VanDerWaalsContact CB-CD1 3.5Å; F941-L975 WeakPolarHBondContact O-CB 3.29Å; G943-L975 PolarHBondContact N-O 2.76Å; Q944-L975 PolarHBondContact O-N 3.05Å; Q944-L975 VanDerWaalsContact O-N 3.1Å; I946-L975 HydrophobicContact CD1-CD1 3.59Å; I946-L975 HydrophobicContact CD1-CG 4.36Å; I973-L975 HydrophobicContact CG2-CD2 3.86Å |
| 976 | D | 82 | Confident | 65.2 | Low | 57 Ų | 57 | 91.3 Ų | 91.3 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 148.4 | -177 | -78.7 | 1.2 | 0 | 0 | 0 | 111.9 | I879 T880 S881 C882 Q974 M978 | I879-D976 HydrophobicContact CG2-CB 4.26Å; I879-D976 WeakPolarHBondContact CG2-OD2 3.33Å; T880-D976 PolarHBondContact O-N 2.91Å; S881-D976 CarbonylContact C-O 3.58Å; S881-D976 WeakPolarHBondContact CA-O 3.48Å; S881-D976 PolarHBondContact OG-O 2.63Å; C882-D976 PolarHBondContact N-O 2.81Å; Q974-D976 WeakPolarHBondContact CG-OD1 3.27Å; Q974-D976 PolarHBondContact NE2-OD1 3.01Å; D976-M978 HydrophobicContact CB-CG 4.47Å; D976-M978 PolarHBondContact O-N 3.05Å |
| 977 | D | 78.7 | Confident | 63.7 | Low | 107 Ų | 107 | 99 Ų | 99 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | trans | -90.8 | 83.8 | 178.2 | -166.9 | -1.5 | 0 | 0 | 0 | 110.8 | H883 | H883-D977 IonicContact CE1-OD1 3.1Å; H883-D977 PolarHBondContact CE1-OD1 2.75Å; H883-D977 IonicContact ND1-OD1 3.48Å; H883-D977 PolarHBondContact ND1-OD1 2.87Å | ||
| 978 | M | 65.4 | Low | 61.6 | Low | 117 Ų | 117 | 106.3 Ų | 106.3 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | trans | -134.1 | 131.2 | -174.7 | -76.8 | -87.3 | 91.2 | 0 | 0 | 112.5 | S881 D976 | S881-M978 WeakPolarHBondContact CB-O 3.41Å; S881-M978 PolarHBondContact OG-O 2.81Å; D976-M978 HydrophobicContact CB-CG 4.47Å; D976-M978 PolarHBondContact O-N 3.05Å | ||
| 979 | P | 56.7 | Low | 58.9 | Low | 107 Ų | 107 | 112.4 Ų | 112.4 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 146.9 | 177.8 | 31.4 | -34.8 | 0 | 0 | 0 | 113.1 | K981 | P979-K981 PolarHBondContact O-N 3.31Š|
| 980 | I | 58.1 | Low | 56.3 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.1 | -175.8 | -54.4 | 172.6 | 0 | 0 | 0 | 111.3 | ||
| 981 | K | 42.2 | Very low | 54 | Low | 201 Ų | 201 | 123.3 Ų | 123.3 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 131.9 | 176 | -83.1 | -179.1 | 176.4 | 171.7 | 0 | 112.3 | P979 | P979-K981 PolarHBondContact O-N 3.31Š|
| 982 | N | 34.3 | Very low | 51.3 | Low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 153.8 | -175.9 | -109.7 | -48.5 | 0 | 0 | 0 | 113.1 | ||
| 983 | Q | 32.2 | Very low | 48.9 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 66% | 0.66 | S | S | * | * | trans | 47.5 | 83 | 145.7 | -61.4 | 173.4 | -11.6 | 0 | 0 | 119.1 | ||||
| 984 | Q | 31.8 | Very low | 46.4 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -171.4 | 106.9 | 148.4 | -111.8 | 168.3 | 37.9 | 0 | 0 | 113.2 | ||||
| 985 | L | 36.2 | Very low | 44 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | 164.7 | 102.4 | 138.3 | -112 | 67.7 | 0 | 0 | 0 | 111 | ||||
| 986 | S | 31.5 | Very low | 41.3 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 49.8 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 987 | Q | 34.6 | Very low | 38.8 | Very low | 198 Ų | 198 | 157 Ų | 157 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -148.7 | 13 | -171 | -123.2 | 173.7 | 20.2 | 0 | 0 | 117.5 | ||||
| 988 | K | 34.2 | Very low | 36.4 | Very low | 191 Ų | 191 | 159.8 Ų | 159.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -119.5 | 49.7 | -165.6 | -152.5 | -176.3 | -178.8 | -175.5 | 0 | 116.2 | ||||
| 989 | W | 26.5 | Very low | 34.7 | Very low | 237 Ų | 237 | 159.3 Ų | 159.3 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -145.4 | 99.8 | 171.4 | -79.3 | 101.7 | 0 | 0 | 0 | 112.8 | ||||
| 990 | R | 29.7 | Very low | 33.3 | Very low | 239 Ų | 239 | 161.2 Ų | 161.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 178.3 | 131.1 | 152.5 | -102.8 | 157.9 | -171.2 | -174.6 | 2.8 | 113 | ||||
| 991 | I | 33.9 | Very low | 31.9 | Very low | 148 Ų | 148 | 161.6 Ų | 161.6 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 83.2 | 141.4 | 153.4 | -59.4 | 162.7 | 0 | 0 | 0 | 118.8 | ||||
| 992 | N | 30.9 | Very low | 31.2 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 72.3 | 111.2 | 171.5 | -70.9 | -7.7 | 0 | 0 | 0 | 120.6 | ||||
| 993 | H | 34.1 | Very low | 31.1 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | -164.4 | 161.1 | 101.5 | -117.5 | -87.6 | 0 | 0 | 0 | 113.3 | |||||
| 994 | N | 33.3 | Very low | 30.9 | Very low | 148 Ų | 148 | 156.3 Ų | 156.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -132.4 | 172.6 | 176.3 | -105.3 | -21.9 | 0 | 0 | 0 | 109.9 | ||||
| 995 | S | 34.7 | Very low | 30.6 | Very low | 100 Ų | 100 | 153.4 Ų | 153.4 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 76.1 | 126.8 | 160.1 | 77.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 996 | L | 27.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 152 Ų | 152 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 53.4 | 157.8 | 141 | -80.8 | 89.3 | 0 | 0 | 0 | 119.3 | ||||
| 997 | L | 28 | Very low | 29.9 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | 173.1 | 144.5 | -26.8 | -141.9 | 80.6 | 0 | 0 | 0 | 103.9 | ||||
| 998 | E | 28.3 | Very low | 29.6 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | 67.7 | 152.6 | 155.5 | -68.9 | 179.9 | 171.3 | 0 | 0 | 122.9 | ||||
| 999 | S | 30.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 75 | 148.3 | 168.7 | 79.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1000 | N | 28.7 | Very low | 29.5 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | cis | 178.9 | 177.8 | -40.3 | -101.3 | -30 | 0 | 0 | 0 | 106.6 | ||||
| 1001 | V | 27.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 82.9 | 114.2 | 158.1 | -166.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1002 | F | 27.1 | Very low | 29.3 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | 67.7 | 126.6 | 152.3 | -80.9 | -139.3 | 0 | 0 | 0 | 120.9 | ||||
| 1003 | T | 33.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | -124.5 | 5.5 | -52.9 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1004 | S | 28 | Very low | 29 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | trans | 177.3 | 173.8 | -145.4 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1005 | T | 25.9 | Very low | 29 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | 71.4 | 104.5 | 169.6 | 65.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1006 | N | 25.5 | Very low | 28.9 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | 75.6 | 156 | 125.5 | -147.4 | -1.4 | 0 | 0 | 0 | 119.8 | |||||
| 1007 | M | 26.9 | Very low | 29 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 65.7 | 109.6 | 173.3 | -57.7 | -68 | 156.3 | 0 | 0 | 115.7 | ||||
| 1008 | N | 27.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | 84.1 | 126.2 | 67.8 | -87.2 | -30.1 | 0 | 0 | 0 | 115.2 | |||||
| 1009 | S | 28.9 | Very low | 29.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 71.1 | 156.1 | 148.7 | 84.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1010 | N | 29.6 | Very low | 29.9 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -168 | 163 | -20.1 | -112.1 | -15 | 0 | 0 | 0 | 109.9 | ||||
| 1011 | T | 29.9 | Very low | 30.3 | Very low | 127 Ų | 127 | 125 Ų | 125 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | 62 | 158 | 152.2 | 50.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1012 | S | 30.2 | Very low | 31 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | cis | -172.4 | 121.3 | -40.7 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1013 | T | 29.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -138.5 | 82.5 | 173.3 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | T1015 | T1013-T1015 PolarHBondContact O-N 2.88Å; T1013-T1015 PolarHBondContact O-OG1 2.77Å | ||
| 1014 | L | 29.2 | Very low | 32 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -62.6 | 116 | 176.3 | -139.4 | 77.4 | 0 | 0 | 0 | 110.3 | ||||
| 1015 | T | 32.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | trans | -132.9 | 104.5 | -173.6 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | T1013 K1017 | T1013-T1015 PolarHBondContact O-N 2.88Å; T1013-T1015 PolarHBondContact O-OG1 2.77Å; T1015-K1017 VanDerWaalsContact C-N 3.3Å; T1015-K1017 PolarHBondContact O-N 3.4Å | ||
| 1016 | A | 32.5 | Very low | 33.4 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 74% | 0.744 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 59.1 | -34.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | T1018 | A1016-T1018 VanDerWaalsContact C-N 3.32Å; A1016-T1018 PolarHBondContact O-N 2.73Å |
| 1017 | K | 29.8 | Very low | 34.7 | Very low | 200 Ų | 200 | 113.2 Ų | 113.2 | 87% | 0.87 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -5.7 | -167 | -85.1 | -172 | 173.1 | -177.3 | 0 | 116.8 | T1015 | T1015-K1017 VanDerWaalsContact C-N 3.3Å; T1015-K1017 PolarHBondContact O-N 3.4Å |
| 1018 | T | 38 | Very low | 35.8 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 64% | 0.638 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 3.7 | -174.3 | 36.6 | 0 | 0 | 0 | 0 | 115.5 | A1016 | A1016-T1018 VanDerWaalsContact C-N 3.32Å; A1016-T1018 PolarHBondContact O-N 2.73Å |
| 1019 | I | 35.4 | Very low | 37.2 | Very low | 133 Ų | 133 | 109.9 Ų | 109.9 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | -11.5 | -178.7 | -65.2 | -179 | 0 | 0 | 0 | 113.4 | ||
| 1020 | L | 32.2 | Very low | 38.5 | Very low | 113 Ų | 113 | 112 Ų | 112 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -97.9 | 5.6 | 174.7 | -149.2 | 69.1 | 0 | 0 | 0 | 114.2 | I1022 L1024 | L1020-I1022 VanDerWaalsContact C-N 3.26Å; L1020-I1022 PolarHBondContact O-N 3.07Å; L1020-L1024 HydrophobicContact CD1-CD1 4.46Å; L1020-L1024 HydrophobicContact CD2-CD1 3.94Å; L1020-L1024 HydrophobicContact CG-CD1 4.09Å |
| 1021 | S | 36.3 | Very low | 40 | Very low | 82 Ų | 82 | 110 Ų | 110 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -11.5 | 176.8 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1022 | I | 42.9 | Very low | 41.7 | Very low | 146 Ų | 146 | 108.8 Ų | 108.8 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -16.8 | -169.5 | -66.8 | 175 | 0 | 0 | 0 | 113.5 | L1020 | L1020-I1022 VanDerWaalsContact C-N 3.26Å; L1020-I1022 PolarHBondContact O-N 3.07Å |
| 1023 | T | 41.5 | Very low | 43.7 | Very low | 98 Ų | 98 | 105.8 Ų | 105.8 | 60% | 0.601 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -9.2 | -173.2 | 50.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1024 | L | 39.5 | Very low | 45.8 | Very low | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -124.9 | -12.5 | -179.4 | -74.8 | 167.7 | 0 | 0 | 0 | 115 | L1020 | L1020-L1024 HydrophobicContact CD1-CD1 4.46Å; L1020-L1024 HydrophobicContact CD2-CD1 3.94Å; L1020-L1024 HydrophobicContact CG-CD1 4.09Å |
| 1025 | G | 39.4 | Very low | 47.7 | Very low | 27 Ų | 27 | 101.5 Ų | 101.5 | 28% | 0.278 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.9 | -25.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1028 I1029 | G1025-T1028 PolarHBondContact O-OG1 2.88Å; G1025-T1028 VanDerWaalsContact O-OG1 3.11Å; G1025-I1029 WeakPolarHBondContact O-CG1 3.37Å; G1025-I1029 PolarHBondContact O-N 3.45Å; G1025-I1029 VanDerWaalsContact O-N 3.09Å |
| 1026 | S | 44.4 | Very low | 49.6 | Very low | 90 Ų | 90 | 101.4 Ų | 101.4 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.2 | -37.2 | 178.3 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | F1030 | S1026-F1030 VanDerWaalsContact O-CB 3.31Å; S1026-F1030 WeakPolarHBondContact O-CB 3.37Å; S1026-F1030 PolarHBondContact O-N 2.83Å |
| 1027 | S | 53 | Low | 51.7 | Low | 65 Ų | 65 | 101.8 Ų | 101.8 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -39.9 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | F1030 L1031 | S1027-F1030 PolarHBondContact O-N 2.92Å; S1027-L1031 VanDerWaalsContact O-CB 3.26Å; S1027-L1031 WeakPolarHBondContact O-CB 3.43Å; S1027-L1031 WeakPolarHBondContact O-CG 3.5Å; S1027-L1031 PolarHBondContact O-N 3.03Å |
| 1028 | T | 50.1 | Low | 53.7 | Low | 75 Ų | 75 | 94.9 Ų | 94.9 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | G1025 L1031 I1032 | G1025-T1028 PolarHBondContact O-OG1 2.88Å; G1025-T1028 VanDerWaalsContact O-OG1 3.11Å; T1028-L1031 PolarHBondContact O-N 2.78Å; T1028-I1032 VanDerWaalsContact O-CB 3.26Å; T1028-I1032 WeakPolarHBondContact O-CB 3.49Å; T1028-I1032 WeakPolarHBondContact O-CD1 3.3Å; T1028-I1032 WeakPolarHBondContact O-CG1 3.26Å; T1028-I1032 PolarHBondContact O-N 3.44Å |
| 1029 | I | 56.1 | Low | 55.3 | Low | 128 Ų | 128 | 92.7 Ų | 92.7 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -34.9 | 174.1 | -66.3 | 171.7 | 0 | 0 | 0 | 111 | G1025 G1033 | G1025-I1029 WeakPolarHBondContact O-CG1 3.37Å; G1025-I1029 PolarHBondContact O-N 3.45Å; G1025-I1029 VanDerWaalsContact O-N 3.09Å; I1029-G1033 WeakPolarHBondContact O-CA 3.18Å; I1029-G1033 PolarHBondContact O-N 2.75Å |
| 1030 | F | 55.8 | Low | 56.9 | Low | 147 Ų | 147 | 90.5 Ų | 90.5 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.6 | -33.7 | 174.5 | -156.1 | -100 | 0 | 0 | 0 | 112.8 | S1026 S1027 G1033 L1034 | S1026-F1030 VanDerWaalsContact O-CB 3.31Å; S1026-F1030 WeakPolarHBondContact O-CB 3.37Å; S1026-F1030 PolarHBondContact O-N 2.83Å; S1027-F1030 PolarHBondContact O-N 2.92Å; F1030-G1033 PolarHBondContact O-N 2.92Å; F1030-L1034 HydrophobicContact CD1-CD1 3.74Å; F1030-L1034 HydrophobicContact CD1-CG 4.19Å; F1030-L1034 HydrophobicContact CE1-CD1 3.7Å; F1030-L1034 HydrophobicContact CE1-CG 4.13Å; F1030-L1034 WeakPolarHBondContact O-CB 3.26Å; F1030-L1034 WeakPolarHBondContact O-CG 3.16Å; F1030-L1034 PolarHBondContact O-N 2.56Å |
| 1031 | L | 60.6 | Low | 58.7 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.3 | -35.3 | 172.9 | -81.8 | 166.5 | 0 | 0 | 0 | 112.8 | S1027 T1028 L1035 | S1027-L1031 VanDerWaalsContact O-CB 3.26Å; S1027-L1031 WeakPolarHBondContact O-CB 3.43Å; S1027-L1031 WeakPolarHBondContact O-CG 3.5Å; S1027-L1031 PolarHBondContact O-N 3.03Å; T1028-L1031 PolarHBondContact O-N 2.78Å; L1031-L1035 WeakPolarHBondContact O-CB 3.5Å; L1031-L1035 VanDerWaalsContact O-CG 3.25Å; L1031-L1035 WeakPolarHBondContact O-CG 3.47Å; L1031-L1035 PolarHBondContact O-N 3.49Å |
| 1032 | I | 67 | Low | 59.8 | Low | 102 Ų | 102 | 90 Ų | 90 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 170.1 | -69 | 165.2 | 0 | 0 | 0 | 109.4 | T1028 L1035 M1036 | T1028-I1032 VanDerWaalsContact O-CB 3.26Å; T1028-I1032 WeakPolarHBondContact O-CB 3.49Å; T1028-I1032 WeakPolarHBondContact O-CD1 3.3Å; T1028-I1032 WeakPolarHBondContact O-CG1 3.26Å; T1028-I1032 PolarHBondContact O-N 3.44Å; I1032-L1035 PolarHBondContact O-N 3.33Å; I1032-M1036 HydrophobicContact CG2-CG 4.12Å; I1032-M1036 WeakPolarHBondContact O-CB 3.31Å; I1032-M1036 WeakPolarHBondContact O-CG 3.49Å; I1032-M1036 PolarHBondContact O-N 2.87Å |
| 1033 | G | 71.4 | Confident | 60.6 | Low | 28 Ų | 28 | 88.4 Ų | 88.4 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1029 F1030 M1036 I1037 | I1029-G1033 WeakPolarHBondContact O-CA 3.18Å; I1029-G1033 PolarHBondContact O-N 2.75Å; F1030-G1033 PolarHBondContact O-N 2.92Å; G1033-M1036 PolarHBondContact O-N 3.32Å; G1033-I1037 VanDerWaalsContact O-CB 3.31Å; G1033-I1037 WeakPolarHBondContact O-CB 3.48Å; G1033-I1037 VanDerWaalsContact O-CG1 3.23Å; G1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; G1033-I1037 PolarHBondContact O-N 2.77Å |
| 1034 | L | 74.4 | Confident | 61.1 | Low | 87 Ų | 87 | 88.9 Ų | 88.9 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.4 | -33.3 | 175.2 | -76.6 | 174.3 | 0 | 0 | 0 | 113.1 | F1030 S1038 | F1030-L1034 HydrophobicContact CD1-CD1 3.74Å; F1030-L1034 HydrophobicContact CD1-CG 4.19Å; F1030-L1034 HydrophobicContact CE1-CD1 3.7Å; F1030-L1034 HydrophobicContact CE1-CG 4.13Å; F1030-L1034 WeakPolarHBondContact O-CB 3.26Å; F1030-L1034 WeakPolarHBondContact O-CG 3.16Å; F1030-L1034 PolarHBondContact O-N 2.56Å; L1034-S1038 WeakPolarHBondContact O-CA 3.32Å; L1034-S1038 WeakPolarHBondContact O-CB 3.47Å; L1034-S1038 PolarHBondContact O-N 2.81Å |
| 1035 | L | 68.4 | Low | 61.8 | Low | 108 Ų | 108 | 86.8 Ų | 86.8 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.9 | -37.3 | 172.6 | -82.9 | 170.2 | 0 | 0 | 0 | 111.5 | L1031 I1032 S1038 T1039 | L1031-L1035 WeakPolarHBondContact O-CB 3.5Å; L1031-L1035 VanDerWaalsContact O-CG 3.25Å; L1031-L1035 WeakPolarHBondContact O-CG 3.47Å; L1031-L1035 PolarHBondContact O-N 3.49Å; I1032-L1035 PolarHBondContact O-N 3.33Å; L1035-S1038 CarbonylContact O-C 3.51Å; L1035-S1038 PolarHBondContact O-N 2.99Å; L1035-T1039 WeakPolarHBondContact O-CB 3.48Å; L1035-T1039 VanDerWaalsContact O-CG2 3.3Å; L1035-T1039 WeakPolarHBondContact O-CG2 3.17Å; L1035-T1039 PolarHBondContact O-N 3.4Å; L1035-T1039 PolarHBondContact O-OG1 3.06Å; L1035-T1039 VanDerWaalsContact O-OG1 3.05Å |
| 1036 | M | 73.6 | Confident | 62.1 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 175.6 | -72.3 | -67.4 | -83.5 | 0 | 0 | 111.1 | I1032 G1033 S1038 T1039 I1040 | I1032-M1036 HydrophobicContact CG2-CG 4.12Å; I1032-M1036 WeakPolarHBondContact O-CB 3.31Å; I1032-M1036 WeakPolarHBondContact O-CG 3.49Å; I1032-M1036 PolarHBondContact O-N 2.87Å; G1033-M1036 PolarHBondContact O-N 3.32Å; M1036-S1038 VanDerWaalsContact C-N 3.33Å; M1036-T1039 WeakPolarHBondContact CA-OG1 3.3Å; M1036-T1039 PolarHBondContact O-N 3.14Å; M1036-T1039 PolarHBondContact O-OG1 2.98Å; M1036-T1039 VanDerWaalsContact O-OG1 3.12Å; M1036-I1040 WeakPolarHBondContact O-CB 3.14Å; M1036-I1040 WeakPolarHBondContact O-CD1 3.08Å; M1036-I1040 WeakPolarHBondContact O-CG1 3.15Å; M1036-I1040 PolarHBondContact O-N 2.93Å |
| 1037 | I | 76.2 | Confident | 62.5 | Low | 98 Ų | 98 | 91.6 Ų | 91.6 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 170.5 | -69.1 | 165.8 | 0 | 0 | 0 | 110.2 | G1033 L1041 | G1033-I1037 VanDerWaalsContact O-CB 3.31Å; G1033-I1037 WeakPolarHBondContact O-CB 3.48Å; G1033-I1037 VanDerWaalsContact O-CG1 3.23Å; G1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; G1033-I1037 PolarHBondContact O-N 2.77Å; I1037-L1041 HydrophobicContact CG2-CD1 3.83Å; I1037-L1041 HydrophobicContact CG2-CG 4.34Å; I1037-L1041 WeakPolarHBondContact O-CB 3.25Å; I1037-L1041 WeakPolarHBondContact O-CG 3.34Å; I1037-L1041 PolarHBondContact O-N 3.42Å |
| 1038 | S | 72.3 | Confident | 62 | Low | 55 Ų | 55 | 96.9 Ų | 96.9 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.9 | -40.6 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | L1034 L1035 M1036 L1041 L1042 | L1034-S1038 WeakPolarHBondContact O-CA 3.32Å; L1034-S1038 WeakPolarHBondContact O-CB 3.47Å; L1034-S1038 PolarHBondContact O-N 2.81Å; L1035-S1038 CarbonylContact O-C 3.51Å; L1035-S1038 PolarHBondContact O-N 2.99Å; M1036-S1038 VanDerWaalsContact C-N 3.33Å; S1038-L1041 PolarHBondContact O-N 3.48Å; S1038-L1042 WeakPolarHBondContact O-CB 3.31Å; S1038-L1042 WeakPolarHBondContact O-CD1 3.47Å; S1038-L1042 VanDerWaalsContact O-CG 3.22Å; S1038-L1042 WeakPolarHBondContact O-CG 3.4Å; S1038-L1042 PolarHBondContact O-N 3.1Å |
| 1039 | T | 71.2 | Confident | 61.8 | Low | 59 Ų | 59 | 103 Ų | 103 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.1 | -40.3 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | L1035 M1036 L1042 I1043 | L1035-T1039 WeakPolarHBondContact O-CB 3.48Å; L1035-T1039 VanDerWaalsContact O-CG2 3.3Å; L1035-T1039 WeakPolarHBondContact O-CG2 3.17Å; L1035-T1039 PolarHBondContact O-N 3.4Å; L1035-T1039 PolarHBondContact O-OG1 3.06Å; L1035-T1039 VanDerWaalsContact O-OG1 3.05Å; M1036-T1039 WeakPolarHBondContact CA-OG1 3.3Å; M1036-T1039 PolarHBondContact O-N 3.14Å; M1036-T1039 PolarHBondContact O-OG1 2.98Å; M1036-T1039 VanDerWaalsContact O-OG1 3.12Å; T1039-L1042 CarbonylContact O-C 3.58Å; T1039-L1042 PolarHBondContact O-N 2.65Å; T1039-I1043 VanDerWaalsContact O-CB 3.24Å; T1039-I1043 WeakPolarHBondContact O-CB 3.48Å; T1039-I1043 WeakPolarHBondContact O-CD1 3.32Å; T1039-I1043 WeakPolarHBondContact O-CG1 3.37Å; T1039-I1043 PolarHBondContact O-N 3.03Å |
| 1040 | I | 69.8 | Low | 61.2 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 172.8 | -70.6 | 165.1 | 0 | 0 | 0 | 110.4 | M1036 I1043 Y1044 | M1036-I1040 WeakPolarHBondContact O-CB 3.14Å; M1036-I1040 WeakPolarHBondContact O-CD1 3.08Å; M1036-I1040 WeakPolarHBondContact O-CG1 3.15Å; M1036-I1040 PolarHBondContact O-N 2.93Å; I1040-I1043 PolarHBondContact O-N 3.46Å; I1040-Y1044 WeakPolarHBondContact O-CB 3.34Å; I1040-Y1044 PolarHBondContact O-N 3.12Å |
| 1041 | L | 68 | Low | 60.5 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -31.7 | 174.1 | -72.9 | 171.6 | 0 | 0 | 0 | 112.8 | I1037 S1038 S1045 | I1037-L1041 HydrophobicContact CG2-CD1 3.83Å; I1037-L1041 HydrophobicContact CG2-CG 4.34Å; I1037-L1041 WeakPolarHBondContact O-CB 3.25Å; I1037-L1041 WeakPolarHBondContact O-CG 3.34Å; I1037-L1041 PolarHBondContact O-N 3.42Å; S1038-L1041 PolarHBondContact O-N 3.48Å; L1041-S1045 WeakPolarHBondContact O-CB 3.42Å; L1041-S1045 PolarHBondContact O-N 3.28Å; L1041-S1045 PolarHBondContact O-OG 2.65Å |
| 1042 | L | 59.9 | Low | 59.2 | Low | 86 Ų | 86 | 107.2 Ų | 107.2 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 171.1 | -81 | 165.3 | 0 | 0 | 0 | 112.1 | S1038 T1039 S1045 K1046 | S1038-L1042 WeakPolarHBondContact O-CB 3.31Å; S1038-L1042 WeakPolarHBondContact O-CD1 3.47Å; S1038-L1042 VanDerWaalsContact O-CG 3.22Å; S1038-L1042 WeakPolarHBondContact O-CG 3.4Å; S1038-L1042 PolarHBondContact O-N 3.1Å; T1039-L1042 CarbonylContact O-C 3.58Å; T1039-L1042 PolarHBondContact O-N 2.65Å; L1042-S1045 WeakPolarHBondContact CA-OG 3.47Å; L1042-S1045 PolarHBondContact O-OG 3.37Å; L1042-K1046 WeakPolarHBondContact O-CB 3.47Å; L1042-K1046 WeakPolarHBondContact O-CD 3.46Å; L1042-K1046 WeakPolarHBondContact O-CG 3.13Å; L1042-K1046 PolarHBondContact O-N 3.01Å |
| 1043 | I | 60 | Low | 57.5 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 59% | 0.585 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.7 | -40.1 | 175.3 | -72.2 | 162.7 | 0 | 0 | 0 | 109.6 | T1039 I1040 K1046 S1047 | T1039-I1043 VanDerWaalsContact O-CB 3.24Å; T1039-I1043 WeakPolarHBondContact O-CB 3.48Å; T1039-I1043 WeakPolarHBondContact O-CD1 3.32Å; T1039-I1043 WeakPolarHBondContact O-CG1 3.37Å; T1039-I1043 PolarHBondContact O-N 3.03Å; I1040-I1043 PolarHBondContact O-N 3.46Å; I1043-K1046 PolarHBondContact O-N 3.49Å; I1043-S1047 WeakPolarHBondContact O-CA 3.32Å; I1043-S1047 WeakPolarHBondContact O-CB 3.45Å; I1043-S1047 PolarHBondContact O-N 3.13Å |
| 1044 | Y | 53.1 | Low | 55.5 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.5 | -40.1 | 176.4 | -162.1 | -107.4 | 0 | 0 | 0 | 111.4 | I1040 S1047 K1048 Y1369 | I1040-Y1044 WeakPolarHBondContact O-CB 3.34Å; I1040-Y1044 PolarHBondContact O-N 3.12Å; Y1044-S1047 PolarHBondContact O-N 2.77Å; Y1044-K1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-K1048 PolarHBondContact O-N 2.98Å; Y1044-Y1369 HydrophobicContact CD2-CE1 4.34Å; Y1044-Y1369 AromaticContact CE2-CE1 3.69Å; Y1044-Y1369 HydrophobicContact CE2-CE1 3.69Å |
| 1045 | S | 54.3 | Low | 53.5 | Low | 59 Ų | 59 | 114.6 Ų | 114.6 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.7 | -30.9 | 173.2 | 61 | 0 | 0 | 0 | 0 | 113.7 | L1041 L1042 R1049 | L1041-S1045 WeakPolarHBondContact O-CB 3.42Å; L1041-S1045 PolarHBondContact O-N 3.28Å; L1041-S1045 PolarHBondContact O-OG 2.65Å; L1042-S1045 WeakPolarHBondContact CA-OG 3.47Å; L1042-S1045 PolarHBondContact O-OG 3.37Å; S1045-R1049 WeakPolarHBondContact O-CB 3.39Å; S1045-R1049 PolarHBondContact O-N 3.05Å; S1045-R1049 VanDerWaalsContact O-N 3.15Å |
| 1046 | K | 44.3 | Very low | 51.8 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 58% | 0.578 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.3 | -36.8 | 168.1 | -78.9 | 172.3 | 178.1 | 176.5 | 0 | 112.4 | L1042 I1043 R1049 R1050 | L1042-K1046 WeakPolarHBondContact O-CB 3.47Å; L1042-K1046 WeakPolarHBondContact O-CD 3.46Å; L1042-K1046 WeakPolarHBondContact O-CG 3.13Å; L1042-K1046 PolarHBondContact O-N 3.01Å; I1043-K1046 PolarHBondContact O-N 3.49Å; K1046-R1049 CarbonylContact O-C 3.54Å; K1046-R1049 VanDerWaalsContact O-C 3.28Å; K1046-R1049 PolarHBondContact O-N 3.35Å; K1046-R1049 VanDerWaalsContact O-N 3.13Å; K1046-R1050 WeakPolarHBondContact O-CB 3.39Å; K1046-R1050 PolarHBondContact O-N 3.27Å |
| 1047 | S | 53.6 | Low | 49.7 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.9 | -48.2 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110 | I1043 Y1044 R1049 R1050 | I1043-S1047 WeakPolarHBondContact O-CA 3.32Å; I1043-S1047 WeakPolarHBondContact O-CB 3.45Å; I1043-S1047 PolarHBondContact O-N 3.13Å; Y1044-S1047 PolarHBondContact O-N 2.77Å; S1047-R1049 PolarHBondContact O-N 2.99Å; S1047-R1049 VanDerWaalsContact O-N 3.12Å; S1047-R1050 PolarHBondContact O-N 3.02Å |
| 1048 | K | 43 | Very low | 47.6 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 76% | 0.761 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 3.2 | 174.2 | -148 | 169.3 | -174.1 | 174.7 | 0 | 114.9 | Y1044 | Y1044-K1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-K1048 PolarHBondContact O-N 2.98Å |
| 1049 | R | 45.4 | Very low | 45.7 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 16.5 | 171.3 | -76.4 | -173.2 | 164.6 | -178.3 | -4.6 | 114.1 | S1045 K1046 S1047 | S1045-R1049 WeakPolarHBondContact O-CB 3.39Å; S1045-R1049 PolarHBondContact O-N 3.05Å; S1045-R1049 VanDerWaalsContact O-N 3.15Å; K1046-R1049 CarbonylContact O-C 3.54Å; K1046-R1049 VanDerWaalsContact O-C 3.28Å; K1046-R1049 PolarHBondContact O-N 3.35Å; K1046-R1049 VanDerWaalsContact O-N 3.13Å; S1047-R1049 PolarHBondContact O-N 2.99Å; S1047-R1049 VanDerWaalsContact O-N 3.12Å |
| 1050 | R | 42.2 | Very low | 43.9 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 77% | 0.774 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -104.5 | 6.5 | 168.7 | -91.8 | -173.9 | 162.7 | -171.2 | -8.5 | 114.1 | K1046 S1047 | K1046-R1050 WeakPolarHBondContact O-CB 3.39Å; K1046-R1050 PolarHBondContact O-N 3.27Å; S1047-R1050 PolarHBondContact O-N 3.02Å |
| 1051 | K | 42 | Very low | 42.1 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -93.4 | 129.5 | 142.6 | -64.7 | -172.9 | 176.2 | -172.7 | 0 | 107 | ||
| 1052 | S | 33.5 | Very low | 40.3 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 43% | 0.434 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 71.3 | 101.9 | -167.3 | -173.6 | 0 | 0 | 0 | 0 | 117 | K1094 | S1052-K1094 PolarHBondContact O-NZ 2.89Å; S1052-K1094 PolarHBondContact OG-NZ 3.15Å |
| 1053 | F | 31.5 | Very low | 38.9 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | trans | 89.7 | 98.8 | 155.9 | -141.7 | -117.9 | 0 | 0 | 0 | 117.7 | T1055 K1094 | F1053-T1055 WeakPolarHBondContact CD1-OG1 3.4Å; F1053-T1055 VanDerWaalsContact CE1-CB 3.43Å; F1053-T1055 HydrophobicContact CE1-CG2 4.25Å; F1053-T1055 WeakPolarHBondContact CE1-OG1 3.24Å; F1053-T1055 HydrophobicContact CZ-CG2 4.32Å; F1053-T1055 WeakPolarHBondContact CZ-OG1 3.3Å; F1053-K1094 VanDerWaalsContact CB-CE 3.48Å | ||
| 1054 | L | 30 | Very low | 37.3 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | trans | -95 | 93.1 | 156.5 | 179.4 | 72.3 | 0 | 0 | 0 | 108.4 | ||||
| 1055 | T | 31.7 | Very low | 36.1 | Very low | 77 Ų | 77 | 143 Ų | 143 | 47% | 0.472 | 69% | 0.693 | S | S | . | * | trans | -150.5 | 130.9 | 173.9 | -37.3 | 0 | 0 | 0 | 0 | 109.8 | F1053 | F1053-T1055 WeakPolarHBondContact CD1-OG1 3.4Å; F1053-T1055 VanDerWaalsContact CE1-CB 3.43Å; F1053-T1055 HydrophobicContact CE1-CG2 4.25Å; F1053-T1055 WeakPolarHBondContact CE1-OG1 3.24Å; F1053-T1055 HydrophobicContact CZ-CG2 4.32Å; F1053-T1055 WeakPolarHBondContact CZ-OG1 3.3Å | ||
| 1056 | L | 32.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | 52 | 101.2 | 168 | -69.1 | 164.8 | 0 | 0 | 0 | 119.6 | ||||
| 1057 | K | 29.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | -168.8 | 115.2 | 122 | -111.7 | -163.1 | -177.4 | -165.1 | 0 | 115.2 | L1059 | K1057-L1059 HydrophobicContact CD-CD1 3.93Å; K1057-L1059 HydrophobicContact CG-CD1 4.09Å | |||
| 1058 | K | 32.4 | Very low | 32.6 | Very low | 210 Ų | 210 | 148.6 Ų | 148.6 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | 170.4 | 89.8 | 155.8 | -99.9 | -176.8 | 177.3 | -174.2 | 0 | 104.9 | ||||
| 1059 | L | 31.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 55% | 0.55 | 70% | 0.704 | S | S | . | * | cis | 77.3 | 123.7 | 27.6 | -116.9 | -168.8 | 0 | 0 | 0 | 115.5 | K1057 | K1057-L1059 HydrophobicContact CD-CD1 3.93Å; K1057-L1059 HydrophobicContact CG-CD1 4.09Å | ||
| 1060 | H | 32.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 144 Ų | 144 | 75% | 0.75 | 70% | 0.697 | S | S | * | * | trans | 62.8 | 114.3 | -178.4 | -55.4 | -73.4 | 0 | 0 | 0 | 115.2 | ||||
| 1061 | L | 32.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 69% | 0.691 | S | S | * | * | cis | -114.5 | 162.3 | 42.7 | -89.5 | 56.9 | 0 | 0 | 0 | 112.6 | ||||
| 1062 | K | 30.5 | Very low | 29.9 | Very low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | cis | 135.8 | 116.1 | -5.1 | 178.4 | 177.3 | 176.3 | -179.6 | 0 | 107 | ||||
| 1063 | D | 29.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 60% | 0.599 | 69% | 0.689 | S | S | * | * | trans | 52.8 | 135.7 | 158.3 | -50.4 | -6.8 | 0 | 0 | 0 | 120.4 | ||||
| 1064 | N | 27.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | 68.9 | 141.4 | 144.3 | -64.2 | -9.6 | 0 | 0 | 0 | 118.4 | ||||
| 1065 | T | 26.8 | Very low | 29.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | cis | -156.9 | 175.8 | -6.3 | 6.7 | 0 | 0 | 0 | 0 | 109.3 | Y1067 | T1065-Y1067 PolarHBondContact O-N 2.94Š| ||
| 1066 | T | 25.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 63% | 0.632 | 68% | 0.683 | S | S | * | * | trans | -30.7 | 133.4 | 145.4 | 51 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1067 | Y | 26.1 | Very low | 29.1 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | -168.1 | 131.2 | 106.9 | -112.3 | -117.4 | 0 | 0 | 0 | 106.4 | T1065 | T1065-Y1067 PolarHBondContact O-N 2.94Š| |||
| 1068 | I | 26.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | 55 | 86 | 69.6 | -62 | 165.9 | 0 | 0 | 0 | 106.2 | |||||
| 1069 | Q | 27.9 | Very low | 29 | Very low | 146 Ų | 146 | 119.7 Ų | 119.7 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | 178.3 | 169.5 | 76.6 | -96.6 | 155.8 | -12.8 | 0 | 0 | 109.6 | |||||
| 1070 | H | 30.2 | Very low | 29 | Very low | 134 Ų | 134 | 120 Ų | 120 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | cis | -150.6 | 134 | 0.8 | -123.5 | -39.8 | 0 | 0 | 0 | 106.9 | ||||
| 1071 | S | 30 | Very low | 28.8 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | 89.1 | 148.3 | 107.7 | 83.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1072 | N | 28.6 | Very low | 28.7 | Very low | 117 Ų | 117 | 116 Ų | 116 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | cis | -167.5 | 148.3 | -13.7 | -114 | 6.1 | 0 | 0 | 0 | 109.9 | ||||
| 1073 | N | 29.6 | Very low | 28.6 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | trans | 63.1 | 153.5 | 147 | -51.2 | -12.3 | 0 | 0 | 0 | 118.5 | ||||
| 1074 | G | 29.1 | Very low | 28.7 | Very low | 42 Ų | 42 | 115 Ų | 115 | 43% | 0.433 | 64% | 0.64 | S | S | . | * | cis | -80.4 | 154.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1075 | S | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 114 Ų | 114 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | cis | 56.3 | 134.9 | 40.8 | 94 | 0 | 0 | 0 | 0 | 111 | ||||
| 1076 | S | 27.8 | Very low | 29 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | cis | 179.2 | 156.6 | 10.9 | 115.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1077 | S | 28.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 54% | 0.538 | 64% | 0.636 | S | S | . | * | cis | -178.8 | -170.1 | -6.5 | 49.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1078 | N | 29.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 70% | 0.695 | 64% | 0.636 | S | S | * | * | trans | 62.4 | 127.2 | 143.2 | -69.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1079 | N | 30.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 62% | 0.615 | 65% | 0.646 | S | S | * | * | cis | -156 | 133.8 | 31 | -105.2 | -23.8 | 0 | 0 | 0 | 110.3 | ||||
| 1080 | N | 31.5 | Very low | 29.9 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 60% | 0.599 | 65% | 0.649 | S | S | * | * | 69 | 146.4 | 121.6 | -61.4 | -6.7 | 0 | 0 | 0 | 120.4 | |||||
| 1081 | N | 29.2 | Very low | 30 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 60% | 0.604 | 66% | 0.664 | S | S | * | * | cis | -171.5 | 154.9 | -20.6 | -112.2 | -11.2 | 0 | 0 | 0 | 107.8 | ||||
| 1082 | N | 30.5 | Very low | 30.2 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | 61.4 | 147.2 | 142.1 | -63.3 | 0.4 | 0 | 0 | 0 | 119 | ||||
| 1083 | T | 28.4 | Very low | 30.4 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | cis | -177.3 | -176.5 | -21.1 | 34.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1084 | I | 30.6 | Very low | 30.6 | Very low | 147 Ų | 147 | 119 Ų | 119 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | 74.7 | 124.2 | 163.7 | -56.1 | 153.5 | 0 | 0 | 0 | 111.6 | ||||
| 1085 | N | 29.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | cis | -174.2 | 172.4 | -3.5 | -109.1 | 24 | 0 | 0 | 0 | 103.8 | ||||
| 1086 | D | 32.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | cis | -153.8 | 165 | -0.2 | -95.6 | -39.7 | 0 | 0 | 0 | 107 | ||||
| 1087 | D | 32.5 | Very low | 31 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | 60.6 | 153.6 | 148 | -72.2 | -3 | 0 | 0 | 0 | 123 | ||||
| 1088 | L | 30.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | cis | -169.8 | 160.6 | -32.8 | -147.3 | 66.2 | 0 | 0 | 0 | 111.1 | ||||
| 1089 | I | 31.5 | Very low | 31 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | 76.3 | 101.4 | 157.3 | -52.5 | -176 | 0 | 0 | 0 | 122 | ||||
| 1090 | C | 30.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | 43.7 | 116.5 | 128 | -78.7 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 1091 | M | 32.8 | Very low | 30.7 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 93% | 0.931 | 72% | 0.724 | S | S | * | * | 76.4 | 174.1 | 115.7 | -86.6 | -172.5 | 169 | 0 | 0 | 123.4 | |||||
| 1092 | D | 34.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | -138.3 | 159.9 | -125.5 | -139 | -33.7 | 0 | 0 | 0 | 117.4 | |||||
| 1093 | C | 32.9 | Very low | 30.3 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | 53.1 | 121.7 | 153.1 | -83.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1094 | K | 34.5 | Very low | 30.4 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 54% | 0.543 | 74% | 0.737 | S | S | . | * | -164 | 166.1 | 112 | -121.1 | -163.8 | -179.7 | -158.3 | 0 | 115.2 | S1052 F1053 | S1052-K1094 PolarHBondContact O-NZ 2.89Å; S1052-K1094 PolarHBondContact OG-NZ 3.15Å; F1053-K1094 VanDerWaalsContact CB-CE 3.48Å | |||
| 1095 | Q | 32.1 | Very low | 30.2 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -97.3 | 161.4 | -164.7 | -50.1 | 145.5 | -54.2 | 0 | 0 | 115.4 | ||||
| 1096 | G | 29.1 | Very low | 30 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 136.1 | 121.1 | 125.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1097 | G | 30.8 | Very low | 29.9 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 95.4 | 114.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1098 | L | 30.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | cis | 94.1 | 123.1 | 41.5 | -77.4 | 156.8 | 0 | 0 | 0 | 114.2 | ||||
| 1099 | N | 28 | Very low | 29.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | trans | 65.9 | 144.9 | 177 | -93.3 | -29.1 | 0 | 0 | 0 | 118.9 | E654 | E654-N1099 PolarHBondContact OE1-ND2 3.17Å; E654-N1099 PolarHBondContact OE2-ND2 2.93Å | ||
| 1100 | K | 28.2 | Very low | 29.4 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 72.5 | 125.5 | 165.4 | -78.8 | 178 | 177.1 | 171.5 | 0 | 120.4 | ||||
| 1101 | I | 27.9 | Very low | 29.3 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 77.1 | 105.7 | 135.1 | -63.4 | 169 | 0 | 0 | 0 | 116.9 | ||||
| 1102 | L | 25.2 | Very low | 29.1 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | 52.2 | 130.2 | 123.5 | -148.9 | 76 | 0 | 0 | 0 | 119.6 | |||||
| 1103 | F | 25.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 80% | 0.803 | 71% | 0.707 | S | S | * | * | trans | -14 | 145.2 | 152.8 | -53.6 | -78.2 | 0 | 0 | 0 | 116.5 | ||||
| 1104 | P | 29.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | cis | -149.1 | -178.6 | 42.7 | 40 | -18 | 0 | 0 | 0 | 116.9 | ||||
| 1105 | T | 26.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 37.3 | 145.3 | 136.8 | 62.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1106 | N | 27.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | cis | -167.9 | -166.3 | 26 | -141.7 | 38.1 | 0 | 0 | 0 | 111.6 | ||||
| 1107 | D | 28.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | trans | 72.4 | 136 | 151 | -67.7 | -2.7 | 0 | 0 | 0 | 116.5 | ||||
| 1108 | N | 29.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | cis | -159.4 | 160 | -6.1 | -118.5 | -37.1 | 0 | 0 | 0 | 108 | ||||
| 1109 | S | 28.6 | Very low | 27.6 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 56% | 0.559 | 71% | 0.705 | S | S | * | * | cis | -159 | 160 | 9.9 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1110 | N | 27 | Very low | 27.6 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | 64.7 | 143.2 | 143.1 | -59.6 | -16.2 | 0 | 0 | 0 | 119.5 | ||||
| 1111 | N | 26.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | cis | -155.9 | 141.5 | -11.5 | -112.7 | -17.9 | 0 | 0 | 0 | 112.7 | ||||
| 1112 | N | 29.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | trans | 61.9 | 121.3 | 137.9 | -59.2 | -17.8 | 0 | 0 | 0 | 122.1 | ||||
| 1113 | N | 28.1 | Very low | 27.8 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -54.1 | 139 | 138.3 | -74.2 | -54.3 | 0 | 0 | 0 | 110.7 | ||
| 1114 | N | 27.2 | Very low | 28 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 71.4 | 141.1 | 166.3 | -54.9 | -40.4 | 0 | 0 | 0 | 118.1 | ||
| 1115 | Q | 30.6 | Very low | 27.9 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 65.3 | 105.3 | 166.5 | -61.4 | -177.9 | -49.4 | 0 | 0 | 117.9 | ||
| 1116 | H | 26.8 | Very low | 28 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.875 | 69% | 0.691 | S | S | * | * | trans | 58.7 | 131.4 | 163.7 | -65.8 | -67.6 | 0 | 0 | 0 | 117.4 | ||||
| 1117 | S | 24.9 | Very low | 28.1 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | cis | -168.7 | 145.6 | -0.1 | 47.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1118 | N | 26.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 67% | 0.674 | 69% | 0.694 | S | S | * | * | trans | 65.5 | 153.3 | 153.4 | -64.7 | 27.8 | 0 | 0 | 0 | 116.3 | ||||
| 1119 | E | 27.7 | Very low | 28.1 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | cis | -141.5 | 150 | -15.3 | -120.5 | 154.9 | 152.4 | 0 | 0 | 107.3 | ||||
| 1120 | Y | 28 | Very low | 28.1 | Very low | 195 Ų | 195 | 139 Ų | 139 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | 37.4 | 125.2 | 109.1 | -65.1 | -129.4 | 0 | 0 | 0 | 112.4 | |||||
| 1121 | I | 29.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | 179.6 | 155 | 52.9 | -125.2 | 152.1 | 0 | 0 | 0 | 106 | |||||
| 1122 | T | 28.4 | Very low | 28 | Very low | 89 Ų | 89 | 141 Ų | 141 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | cis | -172.3 | 163.8 | -22 | 30.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1123 | K | 28.3 | Very low | 27.8 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | 68 | 159 | 149.9 | -74.2 | 156.9 | -171.6 | 175.5 | 0 | 116.1 | ||||
| 1124 | T | 29.1 | Very low | 27.6 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | cis | -140 | 129.2 | -6.3 | 5 | 0 | 0 | 0 | 0 | 105 | ||||
| 1125 | T | 28.1 | Very low | 27.6 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | 57.4 | 159.3 | 95.5 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1126 | E | 27 | Very low | 27.3 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | cis | -144.3 | 139.1 | 16.5 | -125.9 | 120.6 | -110.5 | 0 | 0 | 107.9 | ||||
| 1127 | H | 29 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 61% | 0.611 | 71% | 0.709 | S | S | * | * | 70.1 | 142.8 | 110.6 | -66 | 17.4 | 0 | 0 | 0 | 115.5 | |||||
| 1128 | Y | 29.4 | Very low | 27.3 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | cis | -154.4 | -164.5 | 9.4 | -105.7 | -52.7 | 0 | 0 | 0 | 108.2 | ||||
| 1129 | P | 30.3 | Very low | 27.3 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | -101.3 | 160.1 | -77.3 | 34.6 | -17.2 | 0 | 0 | 0 | 111.6 | |||||
| 1130 | I | 28.1 | Very low | 27.3 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | 50.6 | 114.3 | 70.6 | -45.7 | 163.7 | 0 | 0 | 0 | 110.6 | |||||
| 1131 | S | 27.1 | Very low | 27.3 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | cis | -144.8 | 160 | 47.3 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1132 | M | 23.9 | Very low | 27.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 86% | 0.862 | 72% | 0.724 | S | S | * | * | cis | 66.5 | 87.2 | 20.7 | -75.9 | -147.6 | 175.9 | 0 | 0 | 119 | ||||
| 1133 | S | 26.3 | Very low | 27.3 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | 115 | 129.7 | 117.6 | 81.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1134 | K | 23.8 | Very low | 27.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | 68.6 | 163.8 | 144.5 | -70.7 | 166.5 | -176 | 172.4 | 0 | 118.3 | ||||
| 1135 | P | 26.3 | Very low | 27.2 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -132.8 | 170.3 | -25.7 | 34.8 | -16.8 | 0 | 0 | 0 | 115.2 | ||||
| 1136 | K | 24.7 | Very low | 27.2 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 21.1 | 136.1 | 143.8 | -64.3 | -174.8 | 171.5 | -173.8 | 0 | 122.5 | ||||
| 1137 | S | 24.5 | Very low | 27.2 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | 79.3 | 149.4 | 127.8 | 66 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1138 | I | 27.5 | Very low | 27.2 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 68.9 | 129.7 | 165.1 | -61.5 | 153.2 | 0 | 0 | 0 | 113.1 | ||||
| 1139 | S | 25.8 | Very low | 27.3 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | cis | 164.6 | 157.2 | -28.1 | 46 | 0 | 0 | 0 | 0 | 105 | ||||
| 1140 | E | 27.4 | Very low | 27.5 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 108.5 | 165.2 | -67.9 | 155.9 | -159.9 | 0 | 0 | 117.9 | ||||
| 1141 | D | 27.6 | Very low | 27.6 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | 57.2 | 169.1 | 127.3 | -58.2 | -5.9 | 0 | 0 | 0 | 124.1 | |||||
| 1142 | E | 30.1 | Very low | 27.9 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | 86.5 | 120.4 | 165.9 | -58.3 | -139.2 | 109.9 | 0 | 0 | 122.4 | ||||
| 1143 | F | 28.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 41.6 | 100.7 | 138.9 | -70.3 | -88.9 | 0 | 0 | 0 | 123.4 | ||||
| 1144 | A | 28 | Very low | 28.6 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | 61.3 | 172.2 | 100.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1145 | I | 27.9 | Very low | 29 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 80% | 0.795 | 73% | 0.734 | S | S | * | * | trans | 80.2 | 85.4 | 165 | -51.7 | 177 | 0 | 0 | 0 | 117.6 | ||||
| 1146 | A | 27.9 | Very low | 29.4 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | 50.7 | 127.5 | 116.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1147 | A | 27.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 93% | 0.926 | 73% | 0.725 | S | S | * | * | 62.2 | 127.1 | 126.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1148 | G | 29.2 | Very low | 30.3 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | 147.6 | 138.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1149 | G | 31.6 | Very low | 30.6 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 93 | 98.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1150 | D | 32.9 | Very low | 31 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | cis | 70.2 | 126.8 | 39.2 | -34.9 | -16.2 | 0 | 0 | 0 | 110.5 | ||||
| 1151 | D | 31.7 | Very low | 31.2 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | cis | -167.1 | 175.6 | -8.8 | -139.3 | -16.3 | 0 | 0 | 0 | 111.6 | ||||
| 1152 | V | 32.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 125 Ų | 125 | 61% | 0.612 | 71% | 0.711 | S | S | * | * | trans | 61.3 | 104.7 | 141.7 | 165.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1153 | N | 32 | Very low | 31.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | 90.1 | 135.5 | 122.8 | -73.4 | 42.9 | 0 | 0 | 0 | 125 | |||||
| 1154 | D | 32.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | 64.6 | 114 | 130.5 | -50.3 | -9.6 | 0 | 0 | 0 | 122.6 | ||||
| 1155 | D | 32.4 | Very low | 31.7 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | 75.4 | 146 | 131.5 | -64.4 | -15.6 | 0 | 0 | 0 | 123.4 | ||||
| 1156 | D | 34.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | 76.2 | 107.8 | 146.3 | -88.6 | 10.7 | 0 | 0 | 0 | 123 | ||||
| 1157 | N | 35.2 | Very low | 31.7 | Very low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | 93.4 | 111.3 | 126.9 | -72.6 | -49.2 | 0 | 0 | 0 | 122.5 | |||||
| 1158 | V | 33.2 | Very low | 31.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | 78.9 | 96.9 | 124.3 | 176 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1159 | H | 34.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | 169.8 | 146.3 | 106.4 | -100.3 | -51.1 | 0 | 0 | 0 | 114.4 | |||||
| 1160 | H | 34.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | trans | 62.6 | 136.9 | 165.7 | -62.1 | -70 | 0 | 0 | 0 | 118.1 | ||||
| 1161 | H | 31.1 | Very low | 31.1 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | cis | -151.7 | 145 | -2.7 | -113.1 | -69.2 | 0 | 0 | 0 | 110.1 | ||||
| 1162 | H | 33.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.676 | 70% | 0.703 | S | S | * | * | trans | 51.5 | 107.5 | 163.4 | -58 | -63.1 | 0 | 0 | 0 | 119.9 | ||||
| 1163 | H | 29.4 | Very low | 30.6 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 70% | 0.704 | 71% | 0.707 | S | S | * | * | 63.2 | 123.5 | 89 | -79.5 | -92.8 | 0 | 0 | 0 | 113.9 | |||||
| 1164 | H | 33.1 | Very low | 30.3 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 54% | 0.542 | 71% | 0.711 | S | S | . | * | cis | -144.3 | 138.3 | 7 | -95.8 | -73.7 | 0 | 0 | 0 | 109 | E1485 | H1164-E1485 VanDerWaalsContact CB-OE1 3.25Å; H1164-E1485 WeakPolarHBondContact CB-OE1 3.28Å; H1164-E1485 IonicContact CD2-OE1 3.2Å; H1164-E1485 PolarHBondContact CD2-OE1 2.81Å; H1164-E1485 IonicContact CG-OE1 2.68Å | ||
| 1165 | T | 27.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | 38.4 | 132.2 | 90.1 | 66.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1166 | E | 27 | Very low | 30 | Very low | 144 Ų | 144 | 140 Ų | 140 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | cis | -167.4 | 165.3 | -1.7 | -136.8 | -171.3 | -173.2 | 0 | 0 | 111.6 | ||||
| 1167 | K | 29.3 | Very low | 29.6 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | 61.3 | 114.2 | 158.9 | -68.2 | 160.8 | 177.3 | 139.3 | 0 | 119.5 | ||||
| 1168 | G | 28.9 | Very low | 29.2 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | trans | 175.1 | 64.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1169 | N | 28.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | trans | -34.6 | 147.3 | 171.8 | -68.4 | -8.1 | 0 | 0 | 0 | 115.9 | ||||
| 1170 | V | 27.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | cis | -167.7 | 147.1 | 1 | 112.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1171 | R | 24.9 | Very low | 28.7 | Very low | 218 Ų | 218 | 144.5 Ų | 144.5 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | trans | 28.7 | 123.4 | 138.2 | -130.4 | -171.5 | -154.2 | 164.3 | 3.7 | 117 | ||||
| 1172 | I | 26.4 | Very low | 28.4 | Very low | 147 Ų | 147 | 144 Ų | 144 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | -173.6 | 155.5 | 79.3 | -88.7 | 166.6 | 0 | 0 | 0 | 112.2 | |||||
| 1173 | H | 27.3 | Very low | 28.2 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 70% | 0.704 | 75% | 0.751 | S | S | * | * | trans | -25.4 | 151.6 | 171.2 | -73.9 | -120.8 | 0 | 0 | 0 | 122.2 | ||||
| 1174 | S | 26.1 | Very low | 28 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -73.9 | 136.4 | 149.7 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1175 | H | 29.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -164.1 | 128 | 152.1 | -78.3 | -64.3 | 0 | 0 | 0 | 105.8 | ||||
| 1176 | L | 27.1 | Very low | 27.8 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 55.5 | 110.6 | 61.7 | -81 | 169.1 | 0 | 0 | 0 | 115.5 | |||||
| 1177 | Y | 27.3 | Very low | 27.8 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 105.6 | 159.7 | -89.7 | -100.3 | 0 | 0 | 0 | 121.4 | ||||
| 1178 | N | 26.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 71 | 178.6 | 126.1 | -136.9 | 20.7 | 0 | 0 | 0 | 117.6 | |||||
| 1179 | P | 34.5 | Very low | 27.8 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 56% | 0.558 | 76% | 0.758 | S | S | * | * | -116.5 | 173.5 | -96.4 | 37.3 | -24.3 | 0 | 0 | 0 | 115.8 | |||||
| 1180 | H | 27.3 | Very low | 27.9 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 47.9 | 104.3 | 161 | -70 | -66.3 | 0 | 0 | 0 | 118.9 | ||||
| 1181 | T | 29.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -154.1 | 141.9 | 145.7 | 8.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1182 | T | 24.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -125.1 | 121.2 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1183 | Y | 29.9 | Very low | 28.3 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -152.2 | 100.8 | 166 | -93.5 | -68.2 | 0 | 0 | 0 | 113.9 | ||||
| 1184 | T | 25.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | 37.7 | 150.5 | 129.7 | 65.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1185 | S | 26.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 94 | 152.2 | 137 | 85.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1186 | I | 27.9 | Very low | 28.5 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | cis | -159.7 | 143.3 | -21.2 | -111.5 | 164.8 | 0 | 0 | 0 | 109.1 | ||||
| 1187 | G | 27.6 | Very low | 28.5 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 70.5 | 174 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1188 | L | 27.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -164.5 | 159.4 | -9.4 | -122.2 | 171.7 | 0 | 0 | 0 | 110.4 | ||||
| 1189 | H | 31.6 | Very low | 28.7 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 64.5 | 156 | 172.4 | -63.7 | -65.3 | 0 | 0 | 0 | 118.6 | ||||
| 1190 | H | 29.4 | Very low | 28.4 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 162.4 | -44.4 | -115.3 | 31.2 | 0 | 0 | 0 | 108.5 | ||||
| 1191 | C | 26.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -65 | 176.3 | 173.4 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1192 | P | 33.1 | Very low | 28.4 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | cis | -158.5 | -179 | 23.5 | 46.6 | -24.8 | 0 | 0 | 0 | 121.8 | ||||
| 1193 | H | 28.1 | Very low | 28.5 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 73.1 | 138.2 | 137.8 | -90.1 | -69.5 | 0 | 0 | 0 | 123.9 | ||||
| 1194 | D | 28.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 71.7 | 140.5 | 142.2 | -65.1 | -9.1 | 0 | 0 | 0 | 121.8 | ||||
| 1195 | S | 28.5 | Very low | 28.4 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | -174.2 | 166.1 | -11.3 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1196 | N | 29.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 63.7 | 154.8 | 155 | -61.6 | -45.9 | 0 | 0 | 0 | 118.5 | ||||
| 1197 | S | 27.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | cis | -158.7 | 163.2 | -25.4 | 58.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1198 | V | 30 | Very low | 28.2 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | -163.2 | 137 | 79.5 | 157.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1199 | N | 28.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | -79 | 149.5 | 168.2 | -66.6 | -69.5 | 0 | 0 | 0 | 110.9 | ||||
| 1200 | I | 29.3 | Very low | 28 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | -167.3 | 148 | 123 | -101.6 | 152.7 | 0 | 0 | 0 | 110.4 | |||||
| 1201 | P | 30.5 | Very low | 28 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -118.5 | 170.6 | -156.4 | 42.7 | -32.2 | 0 | 0 | 0 | 114.9 | ||||
| 1202 | R | 24.3 | Very low | 28.2 | Very low | 219 Ų | 219 | 133.4 Ų | 133.4 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | 51.3 | 128.7 | 158 | -65.6 | 172.9 | -178.8 | 172.2 | 0.1 | 117.5 | ||||
| 1203 | F | 28.1 | Very low | 28.1 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | -167.7 | 178.6 | 94.7 | -112.4 | -82 | 0 | 0 | 0 | 110.9 | |||||
| 1204 | K | 25.6 | Very low | 28.2 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -91.2 | 178.7 | 177.9 | -63.4 | -178.5 | 172.7 | -173.4 | 0 | 111.6 | ||||
| 1205 | D | 27.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 129 Ų | 129 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | 106.9 | 103.8 | 139.6 | -63.9 | -35.6 | 0 | 0 | 0 | 118.1 | ||||
| 1206 | N | 26.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | 74.3 | 133.9 | 124.4 | -58.7 | -32.3 | 0 | 0 | 0 | 121.9 | |||||
| 1207 | N | 26.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | 75.5 | 88.8 | 135.9 | -67.2 | -1.1 | 0 | 0 | 0 | 120.3 | ||||
| 1208 | S | 25.6 | Very low | 28.5 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | 83.5 | 143 | 101.3 | 75.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1209 | S | 26.7 | Very low | 28.3 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | trans | 86 | 133.1 | 140.9 | 85.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1210 | N | 28.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | 73.4 | 138.9 | 138.1 | -62.5 | 7.1 | 0 | 0 | 0 | 117.5 | ||||
| 1211 | N | 29.4 | Very low | 28.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | cis | -160.2 | 161.9 | 0.8 | -122.7 | 8.7 | 0 | 0 | 0 | 112.6 | ||||
| 1212 | N | 30.5 | Very low | 28.5 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | 56.9 | 118.7 | 141.1 | -75 | 45 | 0 | 0 | 0 | 120.4 | ||||
| 1213 | D | 31.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | 114.7 | 101.4 | 107 | -88.5 | 29.1 | 0 | 0 | 0 | 119 | |||||
| 1214 | N | 30.4 | Very low | 28.8 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | trans | 86.8 | 123.2 | 130.7 | -47.4 | -29.9 | 0 | 0 | 0 | 119 | F1745 | N1214-F1745 CarbonylContact C-O 3.55Š| ||
| 1215 | K | 30.4 | Very low | 28.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 46% | 0.457 | 68% | 0.683 | S | S | . | * | cis | 178.9 | -121.5 | -7.3 | -133.5 | 136.9 | -163.5 | 164.3 | 0 | 114.3 | F1743 H1744 F1745 S1746 | K1215-F1743 VanDerWaalsContact CE-O 3.23Å; K1215-F1743 WeakPolarHBondContact CE-O 3.45Å; K1215-H1744 WeakPolarHBondContact CB-O 3.21Å; K1215-H1744 VanDerWaalsContact CD-N 3.32Å; K1215-H1744 WeakPolarHBondContact CG-O 3.47Å; K1215-F1745 CarbonylContact C-O 3.58Å; K1215-F1745 VanDerWaalsContact C-O 3.24Å; K1215-F1745 WeakPolarHBondContact CA-O 3.47Å; K1215-F1745 VanDerWaalsContact CB-O 3.26Å; K1215-F1745 WeakPolarHBondContact CB-O 3.44Å; K1215-F1745 PolarHBondContact N-O 2.66Å; K1215-S1746 PolarHBondContact N-O 2.98Å | ||
| 1216 | H | 31 | Very low | 29 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | trans | -150.7 | 174 | -174.6 | 57.9 | -110.9 | 0 | 0 | 0 | 115.8 | H1744 F1745 S1746 | H1216-H1744 CarbonylContact C-O 3.55Å; H1216-H1744 WeakPolarHBondContact CA-O 3.36Å; H1216-H1744 PolarHBondContact CD2-O 2.9Å; H1216-H1744 PolarHBondContact N-O 2.79Å; H1216-H1744 CarbonylContact O-C 3.58Å; H1216-F1745 PolarHBondContact N-O 3.37Å; H1216-F1745 CarbonylContact O-C 3.57Å; H1216-F1745 VanDerWaalsContact O-C 3.26Å; H1216-F1745 WeakPolarHBondContact O-CA 3.46Å; H1216-F1745 PolarHBondContact O-N 2.53Å; H1216-F1745 VanDerWaalsContact O-N 3.13Å; H1216-S1746 VanDerWaalsContact C-N 3.34Å; H1216-S1746 PolarHBondContact O-N 3.37Å | ||
| 1217 | Y | 28.5 | Very low | 29 | Very low | 135 Ų | 135 | 128 Ų | 128 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | trans | -160.7 | 135.5 | 158.4 | -137.6 | -59.2 | 0 | 0 | 0 | 110.8 | H1744 F1745 | Y1217-H1744 AromaticContact CD2-CE1 3.96Å; Y1217-H1744 AromaticContact CD2-ND1 3.87Å; Y1217-H1744 AromaticContact CE2-CE1 3.13Å; Y1217-H1744 WeakPolarHBondContact CE2-CE1 3.26Å; Y1217-H1744 AromaticContact CE2-ND1 3.5Å; Y1217-H1744 AromaticContact CE2-NE2 3.97Å; Y1217-H1744 AromaticContact CZ-CE1 3.42Å; Y1217-H1744 VanDerWaalsContact CZ-CE1 3.42Å; Y1217-H1744 PolarHBondContact OH-CE1 3.03Å; Y1217-F1745 AromaticContact CD2-CD1 3.79Å; Y1217-F1745 HydrophobicContact CD2-CD1 3.79Å; Y1217-F1745 HydrophobicContact CD2-CD2 4.27Å; Y1217-F1745 AromaticContact CD2-CE1 3.63Å; Y1217-F1745 HydrophobicContact CD2-CE1 3.63Å; Y1217-F1745 HydrophobicContact CD2-CE2 4.13Å; Y1217-F1745 HydrophobicContact CD2-CG 4.1Å; Y1217-F1745 AromaticContact CD2-CZ 3.82Å; Y1217-F1745 HydrophobicContact CD2-CZ 3.82Å; Y1217-F1745 HydrophobicContact CE2-CD1 4.31Å; Y1217-F1745 HydrophobicContact CE2-CD2 4.21Å; Y1217-F1745 AromaticContact CE2-CE1 3.81Å; Y1217-F1745 HydrophobicContact CE2-CE1 3.81Å; Y1217-F1745 AromaticContact CE2-CE2 3.7Å; Y1217-F1745 HydrophobicContact CE2-CE2 3.7Å; Y1217-F1745 HydrophobicContact CE2-CG 4.48Å; Y1217-F1745 AromaticContact CE2-CZ 3.48Å; Y1217-F1745 HydrophobicContact CE2-CZ 3.48Å; Y1217-F1745 VanDerWaalsContact CE2-CZ 3.48Å | ||
| 1218 | T | 28.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -104.7 | 151.6 | -174.2 | 50 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1219 | F | 27.8 | Very low | 28.9 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | -160.8 | 124.4 | 146 | -104.4 | -68.5 | 0 | 0 | 0 | 112.9 | ||||
| 1220 | Y | 31 | Very low | 28.8 | Very low | 207 Ų | 207 | 136.3 Ų | 136.3 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -83.8 | 155.9 | 155.9 | -91.4 | -94.4 | 0 | 0 | 0 | 108.9 | ||||
| 1221 | P | 32.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | -150.9 | 166 | 98.6 | 39.1 | -22.3 | 0 | 0 | 0 | 116.6 | |||||
| 1222 | N | 27.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | -73.6 | 148.2 | 166.3 | -51.1 | -35.6 | 0 | 0 | 0 | 111.6 | ||||
| 1223 | A | 27.9 | Very low | 28.4 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -167.5 | 121.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1224 | H | 29.6 | Very low | 28.2 | Very low | 186 Ų | 186 | 136 Ų | 136 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | 40.8 | 133.1 | 140.7 | -62.5 | -78.4 | 0 | 0 | 0 | 124.9 | ||||
| 1225 | L | 27.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -21.3 | 161 | 138.4 | -83.2 | 73.8 | 0 | 0 | 0 | 116.8 | ||||
| 1226 | P | 30.3 | Very low | 28 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | cis | -147.8 | -176.4 | 31.5 | 44.7 | -25.3 | 0 | 0 | 0 | 118.4 | ||||
| 1227 | S | 25.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 52.7 | 114.3 | 139.8 | -67.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1228 | F | 24.4 | Very low | 27.8 | Very low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | 64.4 | 162.7 | 123.9 | -98.7 | -89.8 | 0 | 0 | 0 | 122 | |||||
| 1229 | I | 25.2 | Very low | 27.8 | Very low | 146 Ų | 146 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 76.7 | 94.9 | 159.4 | -70.5 | 163.7 | 0 | 0 | 0 | 117.1 | ||||
| 1230 | L | 24.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | 78.6 | 83.8 | 117 | -160.1 | 73.3 | 0 | 0 | 0 | 119.9 | |||||
| 1231 | A | 27.4 | Very low | 27.6 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | 63.4 | 177.1 | 121.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1232 | T | 27.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 59.4 | 97.1 | 176.9 | 59.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1233 | H | 27.2 | Very low | 27.4 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | -173.8 | 150.8 | 114 | -109.1 | -118.7 | 0 | 0 | 0 | 109.1 | |||||
| 1234 | C | 27.2 | Very low | 27.4 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 58% | 0.581 | 75% | 0.753 | S | S | * | * | cis | 179.6 | 152 | -29.4 | -116 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1235 | L | 27.5 | Very low | 27.6 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 71.8 | 156.2 | 154.9 | -59.4 | 159.1 | 0 | 0 | 0 | 119.5 | ||||
| 1236 | G | 28.1 | Very low | 27.7 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | 104.9 | 64.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1237 | Q | 26.3 | Very low | 27.6 | Very low | 182 Ų | 182 | 125.2 Ų | 125.2 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | 56.8 | 131.9 | 85.6 | -60.6 | -173.7 | -5.1 | 0 | 0 | 113.5 | |||||
| 1238 | S | 29.1 | Very low | 28 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | cis | -161.1 | 150.3 | 41 | 54.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1239 | S | 28.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | 63.9 | 144.4 | 140.9 | 74.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1240 | S | 27.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | cis | -158.5 | 171.7 | -3 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1241 | L | 27.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | cis | -151.2 | 143.3 | 31.3 | -77.1 | 163.7 | 0 | 0 | 0 | 112.2 | ||||
| 1242 | L | 26.6 | Very low | 29.2 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 57.9 | 144.5 | 153.6 | -82 | 73.2 | 0 | 0 | 0 | 119.2 | ||||
| 1243 | S | 29 | Very low | 29.5 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | cis | -148.1 | 161.1 | 1 | 51.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1244 | T | 29.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -79.7 | 178.2 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1245 | P | 33.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 59% | 0.591 | 75% | 0.748 | S | S | * | * | cis | -121.1 | -156.3 | 6.6 | 25.8 | 1.5 | 0 | 0 | 0 | 112.1 | ||||
| 1246 | S | 28.9 | Very low | 29.4 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -157.9 | 172.9 | 26.2 | -58.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1247 | L | 30.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -52.9 | 147.3 | 170.1 | -75.6 | 70.4 | 0 | 0 | 0 | 114.5 | ||||
| 1248 | S | 32.3 | Very low | 29.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | 78.5 | 162.3 | 45.3 | 96.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1249 | P | 37 | Very low | 29.8 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | cis | -138.5 | -153.8 | -17.3 | 30 | -4.5 | 0 | 0 | 0 | 113 | ||||
| 1250 | L | 28.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 88 | 147.4 | 161 | -54.2 | 155.3 | 0 | 0 | 0 | 116.7 | ||||
| 1251 | Q | 34.5 | Very low | 30 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | cis | -143.5 | 155 | 2.9 | -145.3 | 159.4 | 18.1 | 0 | 0 | 114.6 | ||||
| 1252 | Q | 28.5 | Very low | 30 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 154.6 | -177.5 | -55.7 | 149.5 | -18.2 | 0 | 0 | 113.6 | ||||
| 1253 | K | 31.9 | Very low | 30 | Very low | 213 Ų | 213 | 134.6 Ų | 134.6 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | -141.7 | 101.5 | 138.6 | -146 | 166.5 | -168 | 171.4 | 0 | 113.3 | ||||
| 1254 | K | 26.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -87.6 | 132.1 | -177.9 | -165.1 | -177.9 | -171.6 | -178.2 | 0 | 110.8 | ||||
| 1255 | R | 29.4 | Very low | 30 | Very low | 233 Ų | 233 | 134.1 Ų | 134.1 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -179.3 | 119.8 | 161.2 | -98 | 164.1 | -167.3 | -160.7 | 1.9 | 105.7 | ||||
| 1256 | Q | 25.6 | Very low | 30.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | 54.7 | 105.3 | 14.5 | -86.2 | -169 | -20 | 0 | 0 | 114.8 | ||||
| 1257 | L | 28.3 | Very low | 30.4 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -173.2 | 118.2 | 143 | -125 | 74.1 | 0 | 0 | 0 | 110 | ||||
| 1258 | H | 31.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 60 | 151.7 | 157.8 | -54.5 | -50.9 | 0 | 0 | 0 | 119.2 | ||||
| 1259 | T | 31.2 | Very low | 30 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | cis | -153.1 | 153.7 | -6.8 | 2.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1260 | S | 25.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -87.1 | -169.8 | 166.1 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1261 | P | 34.3 | Very low | 29.3 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -132.1 | -160.8 | -17.8 | 30.3 | -7 | 0 | 0 | 0 | 112.8 | ||||
| 1262 | S | 27.2 | Very low | 28.9 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 68.4 | 153.7 | 146.9 | 41.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1263 | S | 28.1 | Very low | 28.7 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -165 | 174.7 | -9.9 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1264 | S | 30.2 | Very low | 28.2 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 53.5 | 104.1 | 146.8 | 56.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1265 | S | 27 | Very low | 28.1 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 81.1 | 144.4 | 67.4 | 74.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1266 | P | 41.2 | Very low | 27.9 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -90.4 | 177 | -160.9 | 39.3 | -39.6 | 0 | 0 | 0 | 114.6 | ||||
| 1267 | P | 29.3 | Very low | 28 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | -153.1 | 164.3 | 103.1 | 40.4 | -23.5 | 0 | 0 | 0 | 118 | |||||
| 1268 | N | 27.7 | Very low | 28 | Very low | 163 Ų | 163 | 129 Ų | 129 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 28.1 | 127.7 | 143.3 | -53.6 | -12.8 | 0 | 0 | 0 | 121.6 | ||||
| 1269 | G | 27.9 | Very low | 28 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -166.8 | 57.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1270 | I | 26.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 48.3 | 120.9 | 132.9 | -67.9 | 171.8 | 0 | 0 | 0 | 121.2 | ||||
| 1271 | E | 23.9 | Very low | 28.1 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 47.7 | 112.7 | 144.5 | -59.7 | 177.1 | 148.8 | 0 | 0 | 123.1 | ||||
| 1272 | C | 25.2 | Very low | 27.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | -175.5 | 123.3 | 120 | -96.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1273 | R | 23.7 | Very low | 28 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | 80.4 | 142.3 | 81 | -78.4 | -172 | 174.6 | -164.8 | -0.5 | 115.5 | |||||
| 1274 | Q | 22.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -69 | 141.6 | 174.8 | -51.5 | 125.7 | -58.3 | 0 | 0 | 111.8 | ||||
| 1275 | S | 23.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -165.4 | 164.1 | 150.2 | -165.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1276 | C | 25 | Very low | 28.5 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -101.5 | 172.2 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1277 | I | 27.8 | Very low | 27.9 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | 89.7 | 121.5 | 161.6 | -53.9 | 160.3 | 0 | 0 | 0 | 117.2 | ||||
| 1278 | G | 29.7 | Very low | 27.8 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 93.6 | 136.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1279 | D | 31 | Very low | 28 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | -158.1 | 146.5 | -14.7 | -153 | 14.2 | 0 | 0 | 0 | 112.8 | ||||
| 1280 | Q | 29 | Very low | 28 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | 51.4 | 129 | 164.8 | -31.7 | -164.5 | 20.1 | 0 | 0 | 119.9 | ||||
| 1281 | S | 30.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -149.6 | 121.6 | 6.2 | 47.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1282 | K | 27.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 70% | 0.7 | 79% | 0.786 | S | S | * | * | 44.4 | 132.2 | 129.9 | -55.1 | -174.4 | 173.4 | 179.8 | 0 | 120.1 | |||||
| 1283 | Y | 30.5 | Very low | 28.7 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | cis | -166.9 | 143.2 | -6.5 | -89.1 | -44.6 | 0 | 0 | 0 | 106.4 | ||||
| 1284 | I | 34.5 | Very low | 29.1 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | 74.3 | 110.4 | 13.2 | -40.3 | 175.8 | 0 | 0 | 0 | 112.6 | ||||
| 1285 | S | 31 | Very low | 29.3 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | -165.1 | 157.6 | 73.1 | -51.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1286 | N | 31.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -94.1 | 173.1 | 165.5 | -64.9 | -25.5 | 0 | 0 | 0 | 111.9 | ||||
| 1287 | V | 27.8 | Very low | 29.5 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -135.8 | 142.1 | 165 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | V1289 | V1287-V1289 HydrophobicContact CG1-CG2 4.32Š| ||
| 1288 | I | 28.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -117.6 | 146.2 | 174.3 | -61.4 | 169.3 | 0 | 0 | 0 | 107.9 | ||||
| 1289 | V | 30.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -132.8 | 149.4 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 111 | V1287 | V1287-V1289 HydrophobicContact CG1-CG2 4.32Š| ||
| 1290 | D | 29.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -84.8 | 171.4 | -164 | -175.7 | 29.5 | 0 | 0 | 0 | 115.3 | R1292 | D1290-R1292 PolarHBondContact O-N 3.17Š| ||
| 1291 | H | 31.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -57 | 108.5 | 178.1 | -58.2 | -85.4 | 0 | 0 | 0 | 113.6 | ||
| 1292 | R | 30.1 | Very low | 29.9 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | 176.2 | 103 | 139.5 | -92.8 | 145.5 | -166 | -164.4 | 4.8 | 112.5 | D1290 | D1290-R1292 PolarHBondContact O-N 3.17Š| ||
| 1293 | N | 29.1 | Very low | 29.9 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 57.1 | 114.1 | 153.4 | -58 | -4.6 | 0 | 0 | 0 | 120.1 | ||||
| 1294 | N | 30.3 | Very low | 30.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 70.3 | 123.8 | 142.7 | -50.1 | -16.8 | 0 | 0 | 0 | 119.7 | ||||
| 1295 | C | 27.1 | Very low | 30 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 92% | 0.919 | 80% | 0.795 | S | S | * | * | -176.4 | 169.5 | 102.2 | -105.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1296 | M | 25.4 | Very low | 29.9 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -105.4 | 136 | -178 | -68.3 | 168 | 64 | 0 | 0 | 112.9 | ||||
| 1297 | I | 28.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 70.3 | 145.3 | 137.5 | -64.8 | 174.1 | 0 | 0 | 0 | 120.4 | ||||
| 1298 | T | 26.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 83.6 | 151.1 | 163.8 | 39 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1299 | P | 34.6 | Very low | 30.1 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -118.3 | 168.2 | -159.7 | 43.3 | -33.2 | 0 | 0 | 0 | 116.8 | ||||
| 1300 | G | 28.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 156.8 | 132.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1301 | C | 33.9 | Very low | 30 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -72.2 | 158.8 | -173.8 | -52.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1302 | F | 31.4 | Very low | 29.9 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 174 | 155.5 | -105.5 | -74.7 | 0 | 0 | 0 | 113.5 | F1541 | F1302-F1541 HydrophobicContact CZ-CD2 4.29Š| ||
| 1303 | I | 28.2 | Very low | 29.7 | Very low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -104.2 | 152.1 | -159.9 | -60.1 | 154.9 | 0 | 0 | 0 | 111.9 | ||||
| 1304 | S | 37.5 | Very low | 29.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 147.5 | 148.2 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1305 | N | 29.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 139.5 | -177.3 | -92.4 | -23.7 | 0 | 0 | 0 | 110.4 | ||||
| 1306 | G | 29.6 | Very low | 29.3 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | 83 | 107.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1307 | A | 34.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -147 | 147.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1308 | E | 27.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -87.8 | 145.1 | -169.4 | -58.2 | 153.5 | 129.1 | 0 | 0 | 112 | ||||
| 1309 | T | 28.6 | Very low | 29.2 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | -179.7 | 147.4 | 114 | 24.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1310 | E | 30.1 | Very low | 28.7 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 54.5 | 134.4 | 160.3 | -59.5 | -165.1 | 165.5 | 0 | 0 | 122.2 | ||||
| 1311 | L | 27.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -143.6 | 144.3 | -168.4 | -145.1 | 86.2 | 0 | 0 | 0 | 107.7 | T1313 | L1311-T1313 VanDerWaalsContact C-N 3.32Å; L1311-T1313 HydrophobicContact CB-CG2 4.22Å; L1311-T1313 HydrophobicContact CD2-CG2 3.56Å; L1311-T1313 HydrophobicContact CG-CG2 4.48Å; L1311-T1313 PolarHBondContact O-N 3.04Å | ||
| 1312 | P | 29.1 | Very low | 28.2 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 88.4 | 146.1 | -26 | 38 | 0 | 0 | 0 | 109.6 | L1314 | P1312-L1314 PolarHBondContact O-N 2.9Š| ||
| 1313 | T | 26.3 | Very low | 28 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 44% | 0.442 | 78% | 0.782 | S | S | . | * | trans | -63.9 | 127.1 | 163.7 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | L1311 K1315 | L1311-T1313 VanDerWaalsContact C-N 3.32Å; L1311-T1313 HydrophobicContact CB-CG2 4.22Å; L1311-T1313 HydrophobicContact CD2-CG2 3.56Å; L1311-T1313 HydrophobicContact CG-CG2 4.48Å; L1311-T1313 PolarHBondContact O-N 3.04Å; T1313-K1315 HydrophobicContact CG2-CB 4.05Å; T1313-K1315 HydrophobicContact CG2-CD 3.65Å; T1313-K1315 HydrophobicContact CG2-CG 3.69Å | ||
| 1314 | L | 26.8 | Very low | 27.9 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 100% | 0.995 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 86.7 | 132.1 | -137.8 | 79.2 | 0 | 0 | 0 | 107.3 | P1312 | P1312-L1314 PolarHBondContact O-N 2.9Š| ||
| 1315 | K | 26.6 | Very low | 27.6 | Very low | 150 Ų | 150 | 147 Ų | 147 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | -108.4 | 147.5 | 176.5 | -91.4 | -171.8 | -175.1 | 170.2 | 0 | 110 | T1313 | T1313-K1315 HydrophobicContact CG2-CB 4.05Å; T1313-K1315 HydrophobicContact CG2-CD 3.65Å; T1313-K1315 HydrophobicContact CG2-CG 3.69Å | ||
| 1316 | T | 24.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | trans | 49.5 | 109.8 | 147.6 | 55.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1317 | L | 25.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -115.2 | 130 | 133.5 | -122.2 | 166.4 | 0 | 0 | 0 | 108.1 | ||||
| 1318 | T | 26.5 | Very low | 27 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -135.3 | 157.4 | 178.6 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1319 | Q | 25.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 155 Ų | 155 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 95.5 | 119.4 | 175.7 | -53.5 | -175.2 | 8.5 | 0 | 0 | 117.9 | ||||
| 1320 | Q | 24.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | 55.6 | 94 | 133.9 | -58.1 | -179.2 | 8.1 | 0 | 0 | 121.1 | ||||
| 1321 | Q | 27.2 | Very low | 26.9 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | 179 | 115.5 | 117.1 | -94.8 | 161.6 | 40 | 0 | 0 | 108 | |||||
| 1322 | Q | 25 | Very low | 26.8 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | 83.8 | 120.1 | 84.8 | -82.4 | -170.4 | -11.4 | 0 | 0 | 115.1 | |||||
| 1323 | Q | 26.3 | Very low | 26.6 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 77.9 | 125.1 | 154.1 | -62.7 | 174 | -3.7 | 0 | 0 | 120.6 | ||||
| 1324 | Q | 26.9 | Very low | 26.7 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 63.6 | 126.6 | 147.7 | -61.2 | 157.6 | 7.2 | 0 | 0 | 117.5 | ||||
| 1325 | H | 31.6 | Very low | 26.6 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | cis | -129.7 | 126.4 | 5.8 | -119 | -99.7 | 0 | 0 | 0 | 107.8 | ||||
| 1326 | N | 25.9 | Very low | 26.5 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | 45.8 | 90.9 | 73.3 | -78.1 | 2.1 | 0 | 0 | 0 | 114.7 | |||||
| 1327 | D | 30.3 | Very low | 26.7 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | -142.3 | 163.4 | 87.9 | -107.4 | -32.5 | 0 | 0 | 0 | 112.6 | |||||
| 1328 | R | 24 | Very low | 26.7 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -154.5 | 108.5 | -149.6 | -176.1 | -166.2 | -168.9 | -167.3 | 6.8 | 115.5 | ||||
| 1329 | I | 26.7 | Very low | 26.9 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | -132.6 | 151.1 | 168.5 | -58.7 | -176.9 | 0 | 0 | 0 | 110.4 | ||||
| 1330 | Q | 28.2 | Very low | 27 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | trans | -78.3 | -179.2 | -175.9 | -60.4 | 179.3 | -20.7 | 0 | 0 | 113.3 | ||||
| 1331 | P | 29.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | -139.9 | 123.8 | 101.5 | 34.2 | -20.3 | 0 | 0 | 0 | 116.1 | V1334 | P1331-V1334 HydrophobicContact CB-CG2 3.81Š| |||
| 1332 | I | 26.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -57.2 | 139.6 | 157.7 | -75.2 | 169.5 | 0 | 0 | 0 | 108.2 | V1334 | I1332-V1334 WeakPolarHBondContact O-CG2 3.15Å; I1332-V1334 PolarHBondContact O-N 2.91Å |
| 1333 | P | 25.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 87% | 0.87 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -54.5 | 120.2 | -151.9 | 19.7 | -35.3 | 0 | 0 | 0 | 115 | ||
| 1334 | V | 26.8 | Very low | 28 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | -113 | 135.6 | -171.8 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | P1331 I1332 L1336 | P1331-V1334 HydrophobicContact CB-CG2 3.81Å; I1332-V1334 WeakPolarHBondContact O-CG2 3.15Å; I1332-V1334 PolarHBondContact O-N 2.91Å; V1334-L1336 PolarHBondContact O-N 3Å | ||
| 1335 | K | 25.7 | Very low | 28.3 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | trans | -68.7 | 101 | 159.6 | -60.4 | 165.4 | 64.8 | -146.8 | 0 | 108.6 | N1337 | K1335-N1337 VanDerWaalsContact C-N 3.32Å; K1335-N1337 PolarHBondContact O-N 2.72Å | ||
| 1336 | L | 24.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 84% | 0.843 | 63% | 0.627 | S | S | * | * | trans | -74.5 | 88.2 | 174.5 | -92.2 | 158.3 | 0 | 0 | 0 | 110.9 | V1334 I1338 | V1334-L1336 PolarHBondContact O-N 3Å; L1336-I1338 PolarHBondContact O-N 2.85Å | ||
| 1337 | N | 26.9 | Very low | 29 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 40% | 0.401 | 62% | 0.618 | S | S | . | * | trans | -80.6 | 104.4 | 173.5 | -174.4 | 56.9 | 0 | 0 | 0 | 108.2 | K1335 Q1339 | K1335-N1337 VanDerWaalsContact C-N 3.32Å; K1335-N1337 PolarHBondContact O-N 2.72Å; N1337-Q1339 PolarHBondContact O-N 3.47Å | ||
| 1338 | I | 27 | Very low | 29.2 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -77.3 | 70.3 | 178 | -54.7 | -175.8 | 0 | 0 | 0 | 109.4 | L1336 | L1336-I1338 PolarHBondContact O-N 2.85Š|
| 1339 | Q | 31.3 | Very low | 29.7 | Very low | 50 Ų | 50 | 111.4 Ų | 111.4 | 23% | 0.234 | 59% | 0.593 | C | S | . | * | trans | -150 | 57.3 | 176.7 | -168.8 | 171.8 | -67.4 | 0 | 0 | 107.9 | N1337 D1343 P1386 | N1337-Q1339 PolarHBondContact O-N 3.47Å; Q1339-D1343 WeakPolarHBondContact CG-OD2 3.37Å; Q1339-P1386 VanDerWaalsContact OE1-CD 3.29Å | ||
| 1340 | S | 27 | Very low | 30.1 | Very low | 90 Ų | 90 | 107 Ų | 107 | 63% | 0.629 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -166.6 | 53.6 | 174.9 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1341 | H | 30.4 | Very low | 30.4 | Very low | 149 Ų | 149 | 106.7 Ų | 106.7 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -124.1 | -41.5 | 148.8 | -152.4 | 67.5 | 0 | 0 | 0 | 110.5 | D1343 N1344 L1345 | H1341-D1343 PolarHBondContact O-N 3.38Å; H1341-N1344 PolarHBondContact O-N 3.47Å; H1341-N1344 VanDerWaalsContact O-N 3.16Å; H1341-L1345 PolarHBondContact O-N 3.1Å; H1341-L1345 VanDerWaalsContact O-N 3.17Å |
| 1342 | C | 29.7 | Very low | 30.5 | Very low | 75 Ų | 75 | 107.9 Ų | 107.9 | 51% | 0.507 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -27.4 | 165.4 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | N1344 Q1346 | C1342-N1344 VanDerWaalsContact C-N 3.31Å; C1342-N1344 PolarHBondContact O-N 3.28Å; C1342-Q1346 WeakPolarHBondContact O-CB 3Å; C1342-Q1346 PolarHBondContact O-N 2.03Å |
| 1343 | D | 31.4 | Very low | 30.5 | Very low | 42 Ų | 42 | 110.4 Ų | 110.4 | 23% | 0.225 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -80.8 | -0.1 | 175.3 | -69.3 | -77.8 | 0 | 0 | 0 | 115 | Q1339 H1341 N1347 K1385 | Q1339-D1343 WeakPolarHBondContact CG-OD2 3.37Å; H1341-D1343 PolarHBondContact O-N 3.38Å; D1343-N1347 PolarHBondContact O-ND2 2.93Å; D1343-K1385 IonicContact OD1-NZ 2.64Å; D1343-K1385 PolarHBondContact OD1-NZ 2.94Å; D1343-K1385 IonicContact OD2-NZ 3.67Å; D1343-K1385 PolarHBondContact OD2-NZ 3.4Å; D1343-K1385 VanDerWaalsContact OD2-NZ 3.07Å |
| 1344 | N | 33.3 | Very low | 30.7 | Very low | 109 Ų | 109 | 106.7 Ų | 106.7 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -109.8 | -28.4 | 166.7 | -126.2 | 0.6 | 0 | 0 | 0 | 112.5 | H1341 C1342 Q1346 Q1348 | H1341-N1344 PolarHBondContact O-N 3.47Å; H1341-N1344 VanDerWaalsContact O-N 3.16Å; C1342-N1344 VanDerWaalsContact C-N 3.31Å; C1342-N1344 PolarHBondContact O-N 3.28Å; N1344-Q1346 VanDerWaalsContact C-N 3.32Å; N1344-Q1348 WeakPolarHBondContact O-CB 3.49Å; N1344-Q1348 PolarHBondContact O-N 3.1Å |
| 1345 | L | 33.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.1 | -38.1 | 159.9 | -90.7 | 88.8 | 0 | 0 | 0 | 111.4 | H1341 Q1348 L1349 | H1341-L1345 PolarHBondContact O-N 3.1Å; H1341-L1345 VanDerWaalsContact O-N 3.17Å; L1345-Q1348 CarbonylContact O-C 3.56Å; L1345-Q1348 PolarHBondContact O-N 3.23Å; L1345-L1349 VanDerWaalsContact O-CB 3.31Å; L1345-L1349 WeakPolarHBondContact O-CB 3.5Å; L1345-L1349 WeakPolarHBondContact O-CG 3.29Å; L1345-L1349 PolarHBondContact O-N 2.87Å |
| 1346 | Q | 35.5 | Very low | 31 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.1 | -48.8 | 175.7 | -166.3 | 65.2 | 41.5 | 0 | 0 | 111.5 | C1342 N1344 Q1348 L1349 D1350 | C1342-Q1346 WeakPolarHBondContact O-CB 3Å; C1342-Q1346 PolarHBondContact O-N 2.03Å; N1344-Q1346 VanDerWaalsContact C-N 3.32Å; Q1346-Q1348 PolarHBondContact O-N 3.14Å; Q1346-L1349 PolarHBondContact O-N 2.99Å; Q1346-D1350 WeakPolarHBondContact CG-OD2 3.47Å; Q1346-D1350 VanDerWaalsContact NE2-CG 3.31Å; Q1346-D1350 PolarHBondContact NE2-OD1 3.42Å; Q1346-D1350 PolarHBondContact NE2-OD2 2.81Å; Q1346-D1350 WeakPolarHBondContact O-CB 3.05Å; Q1346-D1350 PolarHBondContact O-N 3.02Å |
| 1347 | N | 35.7 | Very low | 31 | Very low | 91 Ų | 91 | 115.8 Ų | 115.8 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.1 | -10.7 | 176.9 | -79.4 | -72.2 | 0 | 0 | 0 | 114.3 | D1343 N1351 | D1343-N1347 PolarHBondContact O-ND2 2.93Å; N1347-N1351 PolarHBondContact O-ND2 3Å |
| 1348 | Q | 35.6 | Very low | 31.2 | Very low | 146 Ų | 146 | 115 Ų | 115 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -104.9 | -7.7 | 173.7 | -160.9 | 165.1 | -2.2 | 0 | 0 | 113.2 | N1344 L1345 Q1346 | N1344-Q1348 WeakPolarHBondContact O-CB 3.49Å; N1344-Q1348 PolarHBondContact O-N 3.1Å; L1345-Q1348 CarbonylContact O-C 3.56Å; L1345-Q1348 PolarHBondContact O-N 3.23Å; Q1346-Q1348 PolarHBondContact O-N 3.14Å |
| 1349 | L | 33.2 | Very low | 31.3 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -96.9 | -36.1 | 167.5 | -76.7 | 163 | 0 | 0 | 0 | 111.8 | L1345 Q1346 N1351 D1352 Q1353 | L1345-L1349 VanDerWaalsContact O-CB 3.31Å; L1345-L1349 WeakPolarHBondContact O-CB 3.5Å; L1345-L1349 WeakPolarHBondContact O-CG 3.29Å; L1345-L1349 PolarHBondContact O-N 2.87Å; Q1346-L1349 PolarHBondContact O-N 2.99Å; L1349-N1351 PolarHBondContact O-N 3Å; L1349-D1352 PolarHBondContact O-N 2.87Å; L1349-Q1353 PolarHBondContact O-N 3.38Å |
| 1350 | D | 36.1 | Very low | 31.1 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 44% | 0.439 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -2.4 | 173.3 | -70.7 | -30.9 | 0 | 0 | 0 | 113.5 | Q1346 | Q1346-D1350 WeakPolarHBondContact CG-OD2 3.47Å; Q1346-D1350 VanDerWaalsContact NE2-CG 3.31Å; Q1346-D1350 PolarHBondContact NE2-OD1 3.42Å; Q1346-D1350 PolarHBondContact NE2-OD2 2.81Å; Q1346-D1350 WeakPolarHBondContact O-CB 3.05Å; Q1346-D1350 PolarHBondContact O-N 3.02Å |
| 1351 | N | 33.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -2.6 | 169 | -83.2 | -70.4 | 0 | 0 | 0 | 114.2 | N1347 L1349 | N1347-N1351 PolarHBondContact O-ND2 3Å; L1349-N1351 PolarHBondContact O-N 3Å |
| 1352 | D | 32.9 | Very low | 31.1 | Very low | 136 Ų | 136 | 124 Ų | 124 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -126.5 | 29.1 | 174 | -109.7 | -40.5 | 0 | 0 | 0 | 112.6 | L1349 G1354 | L1349-D1352 PolarHBondContact O-N 2.87Å; D1352-G1354 PolarHBondContact O-N 2.86Å | ||
| 1353 | Q | 26.2 | Very low | 31 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 64.8 | 156.3 | -70.6 | -155.4 | 22.8 | 0 | 0 | 110.2 | L1349 | L1349-Q1353 PolarHBondContact O-N 3.38Š|
| 1354 | G | 28.2 | Very low | 30.8 | Very low | 55 Ų | 55 | 133.9 Ų | 133.9 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | -7.5 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D1352 | D1352-G1354 PolarHBondContact O-N 2.86Š|
| 1355 | R | 28.1 | Very low | 30.8 | Very low | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -162.2 | 144.2 | 174.9 | -112.7 | 150 | 174 | 160.4 | -2.4 | 116.5 | ||
| 1356 | L | 31.4 | Very low | 30.5 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 65 | 154.1 | -60.3 | 168 | 0 | 0 | 0 | 118.7 | G1358 | L1356-G1358 PolarHBondContact O-N 2.84Š| ||
| 1357 | N | 25.1 | Very low | 30.3 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 96% | 0.963 | 73% | 0.727 | S | S | * | * | -57.9 | 126.6 | 130 | -89.6 | -42.5 | 0 | 0 | 0 | 108.5 | |||||
| 1358 | G | 29.8 | Very low | 29.9 | Very low | 59 Ų | 59 | 143.9 Ų | 143.9 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -156.5 | 74.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1356 | L1356-G1358 PolarHBondContact O-N 2.84Š| ||
| 1359 | S | 30.9 | Very low | 29.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | 51.3 | 112.9 | 159.7 | 54 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1360 | Q | 25.4 | Very low | 29.3 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -63.3 | 148.5 | 149.5 | -52.4 | 158 | -68 | 0 | 0 | 110.2 | ||||
| 1361 | Q | 29 | Very low | 28.9 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -168.4 | 151.4 | 142.3 | -115.3 | 169.7 | 27.2 | 0 | 0 | 114.1 | ||||
| 1362 | I | 30 | Very low | 28.5 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 95.2 | 165.5 | -55.8 | 155.1 | 0 | 0 | 0 | 114.6 | ||||
| 1363 | F | 27.2 | Very low | 28.3 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 74% | 0.737 | 77% | 0.768 | S | S | * | * | 85 | 109.5 | 62.5 | -86.9 | -91.5 | 0 | 0 | 0 | 116.2 | |||||
| 1364 | E | 27.5 | Very low | 28.4 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | 44.9 | 112.7 | 139.6 | -64.8 | 173.4 | -179 | 0 | 0 | 120.4 | ||||
| 1365 | N | 32.4 | Very low | 28.4 | Very low | 148 Ų | 148 | 157.5 Ų | 157.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | -161.7 | 159.4 | 102.2 | -106.8 | -75.7 | 0 | 0 | 0 | 113.5 | |||||
| 1366 | N | 27.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 155.3 Ų | 155.3 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -48.7 | 147.9 | -179.7 | -46.5 | -74.2 | 0 | 0 | 0 | 113.2 | ||||
| 1367 | D | 31.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 158.3 Ų | 158.3 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | -157.3 | 123 | 53.1 | -110.2 | -43.3 | 0 | 0 | 0 | 115.4 | |||||
| 1368 | K | 27 | Very low | 28.4 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | 47 | 73.5 | 120.5 | -162.9 | -170.6 | -173.1 | 173.6 | 0 | 120 | |||||
| 1369 | Y | 29.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 162.6 Ų | 162.6 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | -139.5 | 142.5 | 147.5 | -105.4 | -87 | 0 | 0 | 0 | 112 | Y1044 I1371 | Y1044-Y1369 HydrophobicContact CD2-CE1 4.34Å; Y1044-Y1369 AromaticContact CE2-CE1 3.69Å; Y1044-Y1369 HydrophobicContact CE2-CE1 3.69Å; Y1369-I1371 PolarHBondContact O-N 2.78Å | ||
| 1370 | N | 26.8 | Very low | 28.1 | Very low | 137 Ų | 137 | 166.5 Ų | 166.5 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -74.2 | 114.5 | 179 | -85.4 | 15.6 | 0 | 0 | 0 | 110.8 | ||||
| 1371 | I | 26.8 | Very low | 28 | Very low | 150 Ų | 150 | 162.6 Ų | 162.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -101.8 | 90.1 | 162 | -57.8 | 177.6 | 0 | 0 | 0 | 107.4 | Y1369 | Y1369-I1371 PolarHBondContact O-N 2.78Š| ||
| 1372 | T | 26.2 | Very low | 28 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -130.9 | 46.2 | 175 | 39.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1373 | Q | 28.2 | Very low | 27.8 | Very low | 174 Ų | 174 | 159.7 Ų | 159.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -155.1 | 98.1 | 166.6 | -101.4 | 166.5 | -22.7 | 0 | 0 | 105.2 | ||
| 1374 | D | 28.7 | Very low | 28 | Very low | 142 Ų | 142 | 161.4 Ų | 161.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 164.5 | -21.9 | 157.6 | -90.8 | -19.7 | 0 | 0 | 0 | 112.8 | Q1376 | D1374-Q1376 VanDerWaalsContact C-N 3.3Å; D1374-Q1376 PolarHBondContact O-N 3.24Å |
| 1375 | Y | 26.8 | Very low | 27.9 | Very low | 238 Ų | 238 | 158.8 Ų | 158.8 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 59.9 | 175.7 | -98.2 | -85.7 | 0 | 0 | 0 | 113.8 | ||
| 1376 | Q | 29.9 | Very low | 27.8 | Very low | 186 Ų | 186 | 155.3 Ų | 155.3 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.3 | -6.7 | 162 | -120.2 | 169.8 | 20.2 | 0 | 0 | 116.2 | D1374 | D1374-Q1376 VanDerWaalsContact C-N 3.3Å; D1374-Q1376 PolarHBondContact O-N 3.24Å |
| 1377 | R | 27.2 | Very low | 27.9 | Very low | 221 Ų | 221 | 155.6 Ų | 155.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -71.1 | 144.9 | 150.1 | -68.5 | 177.9 | 174.9 | -178.8 | -3.8 | 106.8 | ||
| 1378 | I | 27.6 | Very low | 27.6 | Very low | 168 Ų | 168 | 154 Ų | 154 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 70.3 | 67.2 | -167.1 | -42 | 171.9 | 0 | 0 | 0 | 113.9 | ||
| 1379 | N | 28.6 | Very low | 27.6 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -158.5 | 48.3 | 142.5 | -112.6 | -15.9 | 0 | 0 | 0 | 112.2 | ||||
| 1380 | K | 26.5 | Very low | 27.6 | Very low | 205 Ų | 205 | 150.7 Ų | 150.7 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 147.2 | 160.9 | -76.4 | -178 | 173.5 | 179.1 | 0 | 108.4 | ||||
| 1381 | C | 24.3 | Very low | 27.6 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 74 | 70.1 | -175.1 | -57.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1382 | G | 27.5 | Very low | 27.4 | Very low | 78 Ų | 78 | 147.2 Ų | 147.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -131.5 | 106.4 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1383 | Y | 27.4 | Very low | 27.4 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -112.4 | 126.3 | 178.4 | -88.3 | -93.3 | 0 | 0 | 0 | 110.9 | ||||
| 1384 | E | 30.7 | Very low | 27.4 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 95% | 0.949 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 88.1 | 145.3 | -70.5 | -162.2 | 142.8 | 0 | 0 | 106.6 | ||||
| 1385 | K | 25.7 | Very low | 27.2 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 44% | 0.443 | 77% | 0.77 | S | S | . | * | 86.9 | 104.6 | 52.5 | -150.5 | 164.1 | -157.6 | 172.3 | 0 | 111.1 | D1343 | D1343-K1385 IonicContact OD1-NZ 2.64Å; D1343-K1385 PolarHBondContact OD1-NZ 2.94Å; D1343-K1385 IonicContact OD2-NZ 3.67Å; D1343-K1385 PolarHBondContact OD2-NZ 3.4Å; D1343-K1385 VanDerWaalsContact OD2-NZ 3.07Å | |||
| 1386 | P | 29.1 | Very low | 27.1 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 48% | 0.481 | 76% | 0.763 | S | S | . | * | trans | -105.3 | 165.1 | -152.5 | 39.7 | -38.3 | 0 | 0 | 0 | 116.1 | Q1339 L1388 | Q1339-P1386 VanDerWaalsContact OE1-CD 3.29Å; P1386-L1388 HydrophobicContact CG-CD1 4.17Å; P1386-L1388 PolarHBondContact O-N 2.87Å | ||
| 1387 | P | 30.7 | Very low | 26.7 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -75.4 | 103.5 | 166.9 | -6.5 | 24 | 0 | 0 | 0 | 111.3 | ||||
| 1388 | L | 25 | Very low | 26.5 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 54% | 0.539 | 75% | 0.752 | S | S | . | * | trans | -84.4 | 135.2 | 175.1 | -79.8 | 121.7 | 0 | 0 | 0 | 112.5 | P1386 | P1386-L1388 HydrophobicContact CG-CD1 4.17Å; P1386-L1388 PolarHBondContact O-N 2.87Å | ||
| 1389 | G | 28 | Very low | 26.5 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -141.9 | 91.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1390 | R | 28.6 | Very low | 26.4 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -133.2 | 162.2 | 156 | -72.4 | -165.2 | -171.8 | -177.2 | 2.5 | 106 | ||||
| 1391 | P | 27.1 | Very low | 26.5 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | cis | -138 | -146.1 | 16.2 | 44.6 | -24.9 | 0 | 0 | 0 | 112.9 | ||||
| 1392 | S | 21.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -63.9 | 130.3 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1393 | S | 27.1 | Very low | 26.7 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | 38.3 | 122.5 | 140.7 | 65 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1394 | R | 26.3 | Very low | 26.7 | Very low | 234 Ų | 234 | 132 Ų | 132 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | 176.2 | 149 | 117.7 | -101.8 | 175.1 | 176.5 | -170.6 | -1 | 114.8 | |||||
| 1395 | S | 26.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 62 | 146.6 | 159 | 54.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1396 | L | 23.1 | Very low | 26.3 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | cis | -135.8 | 154.2 | 28.3 | -80 | 163.9 | 0 | 0 | 0 | 115 | ||||
| 1397 | L | 22.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 55.6 | 97.8 | 146 | -66.8 | 164.7 | 0 | 0 | 0 | 121.2 | ||||
| 1398 | N | 22.8 | Very low | 26 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | 67.4 | 103.6 | 119.2 | -152.8 | 26 | 0 | 0 | 0 | 120.1 | |||||
| 1399 | I | 26.8 | Very low | 26 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | -164.9 | 122 | 105.1 | -92.7 | 154.8 | 0 | 0 | 0 | 110.8 | |||||
| 1400 | N | 27.4 | Very low | 25.9 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 33.9 | 107 | 154.8 | -61.6 | -11.1 | 0 | 0 | 0 | 123 | ||||
| 1401 | N | 27.1 | Very low | 25.6 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | 79.2 | 147.5 | 115 | -65.3 | -10.1 | 0 | 0 | 0 | 123.4 | |||||
| 1402 | N | 30.5 | Very low | 25.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | 75.3 | 119.5 | 162.3 | -62.5 | -23 | 0 | 0 | 0 | 115.8 | ||||
| 1403 | N | 27.4 | Very low | 25.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | 66.4 | 132.3 | 64.3 | -63 | -33.4 | 0 | 0 | 0 | 111.1 | |||||
| 1404 | S | 26.9 | Very low | 25.5 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -161.3 | 150.9 | -1.1 | 43.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1405 | N | 24.3 | Very low | 25.5 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | 57.8 | 142.8 | 57.5 | -163.5 | 22.7 | 0 | 0 | 0 | 113.5 | |||||
| 1406 | S | 23.9 | Very low | 25.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | trans | 66 | 119 | -167.3 | -158.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1407 | N | 27.2 | Very low | 25.8 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | 62.8 | 146 | 54.8 | -61.6 | -27.9 | 0 | 0 | 0 | 114 | |||||
| 1408 | N | 24.8 | Very low | 26 | Very low | 134 Ų | 134 | 127 Ų | 127 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | trans | 74.1 | 138.4 | 168.5 | -52.5 | -19.3 | 0 | 0 | 0 | 114.6 | ||||
| 1409 | N | 25.4 | Very low | 26.2 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | cis | -161.2 | 154.9 | -5.6 | -116.8 | -8.7 | 0 | 0 | 0 | 111.9 | ||||
| 1410 | N | 25.3 | Very low | 26.3 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | 62.3 | -179.5 | 153.2 | -59 | -18 | 0 | 0 | 0 | 118.4 | ||||
| 1411 | T | 23.9 | Very low | 26.3 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | 57.9 | 80.7 | 153.2 | 41.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1412 | S | 23.4 | Very low | 26.4 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | 70.6 | 162.9 | 110 | 64 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1413 | E | 23.9 | Very low | 26.2 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | 74.1 | 126.3 | 153.7 | -75.5 | -176.6 | 145.9 | 0 | 0 | 121 | ||||
| 1414 | I | 26.1 | Very low | 26.2 | Very low | 124 Ų | 124 | 128 Ų | 128 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | 73.7 | 87.8 | 126 | -62.1 | 172.6 | 0 | 0 | 0 | 118.4 | |||||
| 1415 | T | 25.4 | Very low | 26.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | 81.5 | 160.9 | 126.6 | 69.9 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1416 | H | 27.8 | Very low | 26.6 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 70% | 0.704 | 68% | 0.68 | S | S | * | * | trans | 50.1 | 112.9 | 154.6 | -65.5 | -54.4 | 0 | 0 | 0 | 119.1 | ||||
| 1417 | R | 27.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 54% | 0.536 | 69% | 0.689 | S | S | . | * | 71 | 145.2 | 59.7 | -164.1 | -151.7 | -168.3 | -164.5 | 7 | 111 | N1602 I1603 | R1417-N1602 PolarHBondContact NH2-O 3.26Å; R1417-I1603 VanDerWaalsContact NH2-CD1 3.31Å | |||
| 1418 | T | 27.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 132 Ų | 132 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | 66.6 | 148.6 | 174 | 41.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1419 | Q | 28.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | cis | -166.4 | 172.3 | 7.4 | -124 | 168.1 | 7.3 | 0 | 0 | 107.2 | ||||
| 1420 | N | 28.5 | Very low | 27.2 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | cis | -167.7 | -162.9 | -1.9 | -156.3 | -8.5 | 0 | 0 | 0 | 108.5 | ||||
| 1421 | L | 27.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | trans | 68.7 | 106.1 | 147.5 | -68.6 | 156.1 | 0 | 0 | 0 | 116 | ||||
| 1422 | H | 28.4 | Very low | 28 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | 88.5 | 144.8 | 89.4 | -79 | 23.7 | 0 | 0 | 0 | 112.7 | |||||
| 1423 | E | 27.2 | Very low | 28.3 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 59% | 0.593 | 72% | 0.718 | S | S | * | * | cis | -152.8 | 179.8 | 3.2 | -131.6 | 173.5 | 136.1 | 0 | 0 | 114.3 | ||||
| 1424 | K | 26.1 | Very low | 28.5 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | -34.4 | 149.1 | 167.9 | -51.3 | 139.9 | -172.6 | 162.4 | 0 | 114.2 | ||||
| 1425 | L | 30.5 | Very low | 28.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | -173.4 | 128.1 | 108 | -98.8 | 160.9 | 0 | 0 | 0 | 113.9 | |||||
| 1426 | I | 29.2 | Very low | 28.7 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -95.7 | 134 | 167.3 | -74 | 164.2 | 0 | 0 | 0 | 106.6 | ||||
| 1427 | P | 31.7 | Very low | 28.7 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | -148.2 | 142.8 | 104.6 | 35.2 | -16.5 | 0 | 0 | 0 | 118.3 | |||||
| 1428 | T | 26.5 | Very low | 28.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -45.4 | 145.1 | 162.9 | 53.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1429 | K | 28.2 | Very low | 28.9 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | -178.2 | 124.4 | 127.6 | -103 | 164.2 | -175.2 | 177.9 | 0 | 108.6 | |||||
| 1430 | R | 29 | Very low | 28.8 | Very low | 234 Ų | 234 | 143.5 Ų | 143.5 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | 43.3 | 114.6 | 72.6 | -67.9 | -168.2 | 178.1 | -170 | 0.3 | 111.1 | |||||
| 1431 | I | 29.4 | Very low | 28.7 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | -154.8 | 160.3 | 73.2 | -97.8 | 164.3 | 0 | 0 | 0 | 111.5 | |||||
| 1432 | P | 35.3 | Very low | 29 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | -133.1 | -163.3 | -151.7 | 42.4 | -24.4 | 0 | 0 | 0 | 115.6 | ||||
| 1433 | K | 29.5 | Very low | 28.9 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 101.9 | 135.5 | 140.7 | -97.8 | -172.3 | 176.8 | -167.6 | 0 | 120.5 | ||||
| 1434 | N | 29.4 | Very low | 29 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 154.2 | 156.8 | -54.6 | 3.8 | 0 | 0 | 0 | 115.6 | ||||
| 1435 | V | 29.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -125.7 | 142.9 | 13.5 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1436 | S | 26.4 | Very low | 29.1 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -76.4 | 156.9 | 172.8 | 49 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1437 | F | 27.9 | Very low | 29.1 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -138.3 | 136.6 | 151.9 | -102.2 | -81.3 | 0 | 0 | 0 | 112.1 | ||||
| 1438 | I | 27.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -113.1 | 153.7 | 165.1 | -39.7 | 175.2 | 0 | 0 | 0 | 105.2 | ||||
| 1439 | P | 30.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | -140 | 141.1 | 113.1 | 38.4 | -26.3 | 0 | 0 | 0 | 111.2 | |||||
| 1440 | S | 26.2 | Very low | 29 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | cis | 64 | 122.1 | 41.7 | 81 | 0 | 0 | 0 | 0 | 114 | ||||
| 1441 | M | 28.2 | Very low | 28.8 | Very low | 165 Ų | 165 | 142 Ų | 142 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 141.1 | 173 | -69.6 | 165.5 | 64.1 | 0 | 0 | 111.7 | ||
| 1442 | P | 32.4 | Very low | 28.6 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 120.3 | 144.9 | 32.7 | -25.2 | 0 | 0 | 0 | 108.9 | F1444 | P1442-F1444 HydrophobicContact CB-CD2 4.28Š|
| 1443 | C | 26.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133.7 | 149.2 | -66.5 | 0 | 0 | 0 | 0 | 106.8 | ||
| 1444 | F | 29.9 | Very low | 28.1 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -118.9 | 138.1 | 166 | -113.3 | -77.5 | 0 | 0 | 0 | 109.8 | P1442 | P1442-F1444 HydrophobicContact CB-CD2 4.28Š| ||
| 1445 | D | 30 | Very low | 28.2 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -71.1 | 131.7 | -167.4 | -91.4 | -73 | 0 | 0 | 0 | 114.4 | ||||
| 1446 | N | 28.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | 46.3 | 143.8 | 126.9 | -76.1 | -68.3 | 0 | 0 | 0 | 122.1 | |||||
| 1447 | Y | 28.5 | Very low | 28.5 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | trans | 74.2 | 147 | 167.5 | -67.4 | -82.9 | 0 | 0 | 0 | 117.7 | ||||
| 1448 | P | 31.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | -136.7 | 163.1 | -53.2 | 36.3 | -18.4 | 0 | 0 | 0 | 111.3 | |||||
| 1449 | L | 26.7 | Very low | 28.8 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | 178.8 | 135.8 | 80.8 | -93.3 | 145.7 | 0 | 0 | 0 | 103.5 | |||||
| 1450 | K | 25.6 | Very low | 28.8 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | cis | 50.5 | 82.7 | 43.7 | -161.5 | -177.2 | -171.1 | 177.6 | 0 | 109.9 | ||||
| 1451 | K | 25.9 | Very low | 29 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | -150.3 | 156.2 | 74.6 | -81.7 | -170.7 | 166.3 | -163.6 | 0 | 109.3 | L1453 | K1451-L1453 HydrophobicContact CD-CD1 4.09Š| |||
| 1452 | T | 25.7 | Very low | 29.2 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 53% | 0.528 | 67% | 0.671 | S | S | . | * | 44.4 | 128.9 | 69.8 | 90.5 | 0 | 0 | 0 | 0 | 113.5 | D1454 | T1452-D1454 VanDerWaalsContact CB-CG 3.46Å; T1452-D1454 WeakPolarHBondContact CB-OD1 3.38Å; T1452-D1454 WeakPolarHBondContact CB-OD2 3.19Å; T1452-D1454 PolarHBondContact OG1-OD2 3.02Å | |||
| 1453 | L | 27.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 67% | 0.67 | S | S | * | * | -143.5 | 112.4 | 103.3 | -114 | 62.5 | 0 | 0 | 0 | 101.8 | K1451 | K1451-L1453 HydrophobicContact CD-CD1 4.09Š| |||
| 1454 | D | 27 | Very low | 29.3 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | 56.7 | 144.6 | 65.1 | -49.1 | -43.4 | 0 | 0 | 0 | 110.6 | T1452 | T1452-D1454 VanDerWaalsContact CB-CG 3.46Å; T1452-D1454 WeakPolarHBondContact CB-OD1 3.38Å; T1452-D1454 WeakPolarHBondContact CB-OD2 3.19Å; T1452-D1454 PolarHBondContact OG1-OD2 3.02Å | |||
| 1455 | N | 29.6 | Very low | 29.3 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | 68.6 | 151.4 | 151.2 | -65.7 | 18.3 | 0 | 0 | 0 | 116 | ||||
| 1456 | D | 29.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 57% | 0.572 | 66% | 0.662 | S | S | * | * | cis | -166.1 | 167.2 | -10.6 | -105.4 | -31.2 | 0 | 0 | 0 | 105.7 | ||||
| 1457 | H | 34.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | cis | -142.7 | 170.4 | 5.9 | -118.2 | -15.2 | 0 | 0 | 0 | 105.2 | ||||
| 1458 | S | 29.9 | Very low | 29.6 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | 39.2 | 137.8 | 81.1 | 119.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1459 | N | 30 | Very low | 29.6 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 66% | 0.658 | 66% | 0.66 | S | S | * | * | cis | -164.4 | 169.6 | 18.5 | -135.3 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 1460 | N | 30.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | trans | 63 | 109.5 | 142.8 | -73.7 | -31.3 | 0 | 0 | 0 | 120.6 | ||||
| 1461 | N | 31.5 | Very low | 30 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | 109.8 | 105.7 | 107.4 | -76.2 | -14.7 | 0 | 0 | 0 | 120.3 | |||||
| 1462 | N | 31.1 | Very low | 30 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | 96.9 | 125.9 | 115.5 | -71.1 | -21 | 0 | 0 | 0 | 121 | |||||
| 1463 | N | 31.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 65% | 0.647 | 67% | 0.674 | S | S | * | * | trans | 88.2 | 109.1 | 140.8 | -72.8 | -41.9 | 0 | 0 | 0 | 121.2 | ||||
| 1464 | K | 30.2 | Very low | 30.3 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | 75.7 | 149.1 | 119.2 | -70.2 | -175.9 | -178 | -177.8 | 0 | 119.1 | |||||
| 1465 | I | 29.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 65% | 0.651 | 69% | 0.686 | S | S | * | * | cis | -169.5 | 154.9 | -20.1 | -122.6 | 172.7 | 0 | 0 | 0 | 108.2 | ||||
| 1466 | N | 30 | Very low | 30.5 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | 64.8 | 162.1 | 164.2 | -74.6 | 4.3 | 0 | 0 | 0 | 120.7 | ||||
| 1467 | S | 30.9 | Very low | 30.3 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 53% | 0.531 | 70% | 0.704 | S | S | . | * | cis | 176.2 | 152.1 | -39.2 | 58 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1468 | N | 32.4 | Very low | 29.9 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | trans | 92 | 133 | 155.4 | -51.2 | -31.1 | 0 | 0 | 0 | 121.2 | ||||
| 1469 | G | 30.9 | Very low | 29.7 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 167.2 | 69 | 159.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1470 | Y | 31.4 | Very low | 29.8 | Very low | 213 Ų | 213 | 135.6 Ų | 135.6 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | 73.5 | 117.5 | 148.9 | -59 | -93.6 | 0 | 0 | 0 | 125.7 | ||||
| 1471 | F | 30.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 33.5 | 152.7 | 131.7 | -64.8 | -93 | 0 | 0 | 0 | 123.9 | ||||
| 1472 | M | 25.9 | Very low | 30 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | cis | -174.6 | 162.2 | -24.1 | -128.3 | -176.2 | -171.2 | 0 | 0 | 112.1 | ||||
| 1473 | N | 29.7 | Very low | 29.8 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 77 | 121 | 157.1 | -68 | -3.7 | 0 | 0 | 0 | 124.4 | ||||
| 1474 | S | 28.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 34.1 | 144.1 | 137.4 | 59.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1475 | S | 30.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -171.9 | 157.9 | 3.1 | 45 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1476 | I | 31.6 | Very low | 29.1 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | -150.4 | 112.6 | -55 | -94.6 | 137.1 | 0 | 0 | 0 | 105.3 | |||||
| 1477 | L | 24.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -168.2 | 144.5 | 172.4 | -114.7 | 172 | 0 | 0 | 0 | 111.1 | ||||
| 1478 | K | 26.7 | Very low | 28.6 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 69.8 | 158.1 | 169.1 | -68.5 | -175.7 | 174.7 | 179.8 | 0 | 119.5 | ||||
| 1479 | S | 25.6 | Very low | 28.3 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 63.2 | 98 | 166.2 | 49 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1480 | T | 31.5 | Very low | 28.1 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 52.9 | 124.7 | 124.2 | 57.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 1481 | S | 37.9 | Very low | 28 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | 177.4 | 101.8 | -51.5 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1482 | G | 27.7 | Very low | 27.8 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 134.8 | 161.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1483 | N | 26.7 | Very low | 27.8 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | cis | -138.5 | 143.6 | -11.3 | -86.4 | -15.8 | 0 | 0 | 0 | 108.2 | ||||
| 1484 | Y | 23.3 | Very low | 27.5 | Very low | 217 Ų | 217 | 141.2 Ų | 141.2 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -143.7 | -175.6 | 176.9 | -100.6 | -86.4 | 0 | 0 | 0 | 109.4 | ||||
| 1485 | E | 24.8 | Very low | 27.2 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 50% | 0.495 | 75% | 0.749 | S | S | . | * | S | Bend | trans | -60 | -177 | 171.5 | -61.4 | 134.7 | 125.4 | 0 | 0 | 113.3 | H1164 | H1164-E1485 VanDerWaalsContact CB-OE1 3.25Å; H1164-E1485 WeakPolarHBondContact CB-OE1 3.28Å; H1164-E1485 IonicContact CD2-OE1 3.2Å; H1164-E1485 PolarHBondContact CD2-OE1 2.81Å; H1164-E1485 IonicContact CG-OE1 2.68Å |
| 1486 | I | 28.7 | Very low | 27 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | trans | 80.8 | 66.8 | -172.3 | -43.8 | 167.6 | 0 | 0 | 0 | 112.3 | D1488 | I1486-D1488 PolarHBondContact O-N 2.98Å; I1486-D1488 VanDerWaalsContact O-N 3.16Å | ||
| 1487 | C | 26.1 | Very low | 26.7 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -80.9 | 93 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1488 | D | 25.6 | Very low | 27 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 54.1 | 99.5 | 143.7 | -64.5 | -31.1 | 0 | 0 | 0 | 119.8 | I1486 | I1486-D1488 PolarHBondContact O-N 2.98Å; I1486-D1488 VanDerWaalsContact O-N 3.16Å | ||
| 1489 | H | 25.6 | Very low | 27.2 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | -36.1 | 153.9 | 129.9 | -55.9 | -77.3 | 0 | 0 | 0 | 111.5 | |||||
| 1490 | Q | 25.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 61% | 0.612 | 71% | 0.713 | S | S | * | * | cis | -166.6 | 138.9 | 48.2 | -149.1 | 139.2 | 58.2 | 0 | 0 | 110.4 | ||||
| 1491 | H | 30.5 | Very low | 27 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -77.9 | 157 | 154.9 | -68.7 | -111 | 0 | 0 | 0 | 108.7 | ||||
| 1492 | L | 25.6 | Very low | 26.4 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 72.3 | 148.8 | 170 | -82 | 69.8 | 0 | 0 | 0 | 117.9 | ||
| 1493 | Y | 26.9 | Very low | 26.2 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | 25.9 | 127.5 | 150 | -72.7 | -105.3 | 0 | 0 | 0 | 121 | ||||
| 1494 | Q | 23.1 | Very low | 26.2 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 56% | 0.556 | 70% | 0.699 | S | S | * | * | trans | -169.9 | 121.6 | 136.1 | -105.8 | 142.4 | 43 | 0 | 0 | 115 | K1496 | Q1494-K1496 HydrophobicContact CB-CB 4.38Å; Q1494-K1496 HydrophobicContact CG-CD 4.31Å; Q1494-K1496 HydrophobicContact CG-CG 4.25Å; Q1494-K1496 VanDerWaalsContact OE1-CD 3.22Å | ||
| 1495 | F | 23.3 | Very low | 26.3 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -66.7 | 138.4 | 131.7 | -92.4 | -95.7 | 0 | 0 | 0 | 107.1 | N468 | N468-F1495 WeakPolarHBondContact ND2-CE1 3.3Å; N468-F1495 VanDerWaalsContact OD1-CD1 3.32Å; N468-F1495 WeakPolarHBondContact OD1-CD1 3.27Å | ||
| 1496 | K | 24.7 | Very low | 26.5 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | trans | -142.1 | 143.3 | 179.3 | -134.2 | 174.2 | -171.1 | 161.2 | 0 | 111.8 | Q1494 | Q1494-K1496 HydrophobicContact CB-CB 4.38Å; Q1494-K1496 HydrophobicContact CG-CD 4.31Å; Q1494-K1496 HydrophobicContact CG-CG 4.25Å; Q1494-K1496 VanDerWaalsContact OE1-CD 3.22Å | ||
| 1497 | S | 25.6 | Very low | 26.4 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 51% | 0.51 | 70% | 0.695 | S | S | . | * | trans | -119.3 | 172.3 | -158.9 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1498 | H | 31.6 | Very low | 26.4 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | -45.5 | 146.2 | 177.3 | -78.8 | -72.5 | 0 | 0 | 0 | 116.2 | ||||
| 1499 | P | 29.8 | Very low | 26.5 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | -91 | 126.8 | 119.8 | 33.2 | -27.3 | 0 | 0 | 0 | 109 | |||||
| 1500 | N | 27.9 | Very low | 26.6 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | 52.9 | 123.4 | 52.4 | -73.6 | 12.3 | 0 | 0 | 0 | 113.9 | |||||
| 1501 | I | 25.4 | Very low | 26.7 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | -174.1 | 110 | 107.2 | -89.9 | 156.9 | 0 | 0 | 0 | 111.9 | |||||
| 1502 | L | 25.2 | Very low | 26.6 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | trans | 34.3 | 122.4 | 141.3 | -66.7 | 68 | 0 | 0 | 0 | 122.4 | Y1504 | L1502-Y1504 HydrophobicContact CB-CD2 3.97Å; L1502-Y1504 HydrophobicContact CB-CG 4.45Å; L1502-Y1504 HydrophobicContact CD1-CE2 4.48Å; L1502-Y1504 HydrophobicContact CD2-CD1 4.19Å; L1502-Y1504 HydrophobicContact CD2-CD2 3.56Å; L1502-Y1504 HydrophobicContact CD2-CE1 4.18Å; L1502-Y1504 HydrophobicContact CD2-CE2 3.53Å; L1502-Y1504 HydrophobicContact CD2-CG 3.89Å; L1502-Y1504 HydrophobicContact CG-CD2 3.45Å; L1502-Y1504 VanDerWaalsContact CG-CD2 3.45Å; L1502-Y1504 HydrophobicContact CG-CE2 3.55Å; L1502-Y1504 HydrophobicContact CG-CG 4.19Å | ||
| 1503 | A | 24.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | -135.3 | 130.2 | 108.6 | 0 | 0 | 0 | 0 | 0 | 106 | |||||
| 1504 | Y | 26.9 | Very low | 26.8 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | cis | 62.2 | 117.6 | 19.9 | -81.2 | -115.9 | 0 | 0 | 0 | 113.2 | L1502 | L1502-Y1504 HydrophobicContact CB-CD2 3.97Å; L1502-Y1504 HydrophobicContact CB-CG 4.45Å; L1502-Y1504 HydrophobicContact CD1-CE2 4.48Å; L1502-Y1504 HydrophobicContact CD2-CD1 4.19Å; L1502-Y1504 HydrophobicContact CD2-CD2 3.56Å; L1502-Y1504 HydrophobicContact CD2-CE1 4.18Å; L1502-Y1504 HydrophobicContact CD2-CE2 3.53Å; L1502-Y1504 HydrophobicContact CD2-CG 3.89Å; L1502-Y1504 HydrophobicContact CG-CD2 3.45Å; L1502-Y1504 VanDerWaalsContact CG-CD2 3.45Å; L1502-Y1504 HydrophobicContact CG-CE2 3.55Å; L1502-Y1504 HydrophobicContact CG-CG 4.19Å | ||
| 1505 | T | 25.6 | Very low | 27 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | cis | -139.3 | 178.4 | 1 | 47 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1506 | T | 27.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | cis | -146.1 | 154.4 | 28.7 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1507 | D | 25.9 | Very low | 27.7 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | 48 | 136.3 | 82.1 | -35.3 | -66.4 | 0 | 0 | 0 | 114.4 | |||||
| 1508 | V | 26.2 | Very low | 28 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | cis | -154.5 | 164.7 | 6 | 97.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1509 | T | 27.7 | Very low | 28 | Very low | 107 Ų | 107 | 127 Ų | 127 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | -40.2 | 178.1 | 167.7 | 65.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1510 | I | 28.9 | Very low | 28 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 68% | 0.677 | 69% | 0.692 | S | S | * | * | cis | -166 | 161.1 | 17.6 | -137.7 | 157.7 | 0 | 0 | 0 | 112.2 | ||||
| 1511 | D | 27.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | trans | 47 | 139.3 | 151.4 | -53.9 | -20.2 | 0 | 0 | 0 | 127.7 | ||||
| 1512 | D | 28.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | 107.9 | 124.2 | 118.3 | -93.7 | 1.3 | 0 | 0 | 0 | 125 | |||||
| 1513 | L | 26.8 | Very low | 29 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | trans | 60.9 | 146.6 | 136.6 | -57 | 171.2 | 0 | 0 | 0 | 119.8 | ||||
| 1514 | H | 31 | Very low | 29.2 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -167 | 166.7 | 13.4 | -132.2 | -20 | 0 | 0 | 0 | 112.4 | ||||
| 1515 | L | 27.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 63% | 0.634 | 71% | 0.707 | S | S | * | * | trans | 63.1 | 114.3 | 145.6 | -71.3 | 160.1 | 0 | 0 | 0 | 122.4 | ||||
| 1516 | N | 29.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | 40.9 | 138 | 117 | -58.7 | 9.6 | 0 | 0 | 0 | 119.7 | |||||
| 1517 | D | 31.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | -161.1 | -178.7 | 69.5 | -151.7 | -9.7 | 0 | 0 | 0 | 115 | |||||
| 1518 | T | 31.4 | Very low | 29.7 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | trans | -117.7 | 162.4 | -162.1 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1519 | K | 32.3 | Very low | 29.7 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | trans | 178.2 | 119.6 | 137 | -96.7 | 145.3 | -163.1 | 143.5 | 0 | 117.1 | ||||
| 1520 | N | 30.6 | Very low | 30 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | 19.2 | 142.6 | 134.7 | -53.4 | -9.2 | 0 | 0 | 0 | 122.6 | ||||
| 1521 | I | 34.4 | Very low | 29.9 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 89% | 0.892 | 74% | 0.737 | S | S | * | * | -173.7 | 152.7 | 117.9 | -95 | 155.4 | 0 | 0 | 0 | 112.4 | |||||
| 1522 | S | 28.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -154.9 | -170.1 | -170.9 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1523 | P | 35.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | cis | -141.4 | -143.7 | 2.5 | 42.2 | -19.4 | 0 | 0 | 0 | 114.3 | ||||
| 1524 | T | 28.9 | Very low | 29.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | 75.9 | 149.5 | 157.6 | 33.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1525 | S | 30.5 | Very low | 29.2 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | cis | -165.8 | 153.4 | 4.2 | 44.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1526 | Q | 30.6 | Very low | 29 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 67.2 | 162.7 | 146.6 | -71.3 | 164.3 | 12.9 | 0 | 0 | 121 | ||||
| 1527 | L | 24.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | cis | -173.1 | 170.1 | -45 | -140.8 | 127 | 0 | 0 | 0 | 109.4 | ||||
| 1528 | I | 30.7 | Very low | 28.5 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | 124.6 | 140.2 | 157.6 | -65.9 | 165.5 | 0 | 0 | 0 | 116.8 | ||||
| 1529 | N | 27.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -110.3 | -179.5 | -179.5 | -115.8 | -34.4 | 0 | 0 | 0 | 109.5 | ||||
| 1530 | P | 33.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -146.1 | -157.7 | 27.5 | 44.9 | -22.9 | 0 | 0 | 0 | 115.6 | ||||
| 1531 | Q | 27.4 | Very low | 27.9 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -75.2 | 151.5 | 172.1 | -52.8 | 169.8 | -28.5 | 0 | 0 | 113.3 | ||||
| 1532 | L | 24.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | -179 | 154 | 111.1 | -126 | 70.8 | 0 | 0 | 0 | 113.4 | |||||
| 1533 | S | 23.9 | Very low | 27.3 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -65.4 | 147.9 | 168.3 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1534 | L | 24 | Very low | 27 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | -171.3 | 137.7 | 106.7 | -123 | 87.4 | 0 | 0 | 0 | 115.1 | |||||
| 1535 | Y | 24.3 | Very low | 26.8 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 64.1 | 102.3 | 138.7 | -89.7 | -139.7 | 0 | 0 | 0 | 123 | ||||
| 1536 | N | 24.4 | Very low | 26.7 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | 84.8 | 138.6 | 109.6 | -87.6 | -28.2 | 0 | 0 | 0 | 123.7 | |||||
| 1537 | N | 24.6 | Very low | 26.4 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | trans | 79.8 | 101 | 149.1 | -74.5 | -51.7 | 0 | 0 | 0 | 121.7 | ||||
| 1538 | K | 25.4 | Very low | 26.5 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | 54.2 | 108.3 | 117.1 | -62 | 172.1 | -172.7 | 163.3 | 0 | 119.1 | |||||
| 1539 | R | 25.2 | Very low | 26.4 | Very low | 226 Ų | 226 | 143.5 Ų | 143.5 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | 179.5 | 128.6 | 103.9 | -92 | 147.5 | 179.7 | 175.7 | -1.1 | 108.8 | |||||
| 1540 | N | 30.2 | Very low | 26.3 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | 60.3 | 80.5 | 68.9 | -72.6 | 22 | 0 | 0 | 0 | 113.8 | L1542 | N1540-L1542 HydrophobicContact CB-CD1 3.83Š| |||
| 1541 | F | 27.1 | Very low | 26.1 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | trans | -136 | 112 | 138.8 | -89.8 | -84.5 | 0 | 0 | 0 | 106.8 | F1302 | F1302-F1541 HydrophobicContact CZ-CD2 4.29Š| ||
| 1542 | L | 26.3 | Very low | 26 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | cis | 84.2 | 127.2 | 46.8 | -83.6 | 73.4 | 0 | 0 | 0 | 114.5 | N1540 | N1540-L1542 HydrophobicContact CB-CD1 3.83Š| ||
| 1543 | Y | 24.5 | Very low | 26.2 | Very low | 156 Ų | 156 | 137 Ų | 137 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | trans | 77.6 | 146.7 | 143.4 | -81.7 | -141.3 | 0 | 0 | 0 | 116.4 | Q1545 | Y1543-Q1545 HydrophobicContact CD1-CG 4.38Å; Y1543-Q1545 HydrophobicContact CD2-CG 4.01Å; Y1543-Q1545 VanDerWaalsContact CE2-CD 3.46Å; Y1543-Q1545 HydrophobicContact CE2-CG 4.17Å; Y1543-Q1545 HydrophobicContact CG-CG 4.12Å; Y1543-Q1545 PolarHBondContact OH-NE2 3.02Å | ||
| 1544 | K | 28.1 | Very low | 26.3 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | cis | -125.7 | 125.4 | 7.5 | -64.8 | 176.4 | -177.5 | 167.9 | 0 | 109.3 | ||||
| 1545 | Q | 25.6 | Very low | 26.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 46% | 0.463 | 69% | 0.691 | S | S | . | * | 68.7 | 109.8 | 61.8 | -73.3 | -159 | -28.8 | 0 | 0 | 115 | Y1543 | Y1543-Q1545 HydrophobicContact CD1-CG 4.38Å; Y1543-Q1545 HydrophobicContact CD2-CG 4.01Å; Y1543-Q1545 VanDerWaalsContact CE2-CD 3.46Å; Y1543-Q1545 HydrophobicContact CE2-CG 4.17Å; Y1543-Q1545 HydrophobicContact CG-CG 4.12Å; Y1543-Q1545 PolarHBondContact OH-NE2 3.02Å | |||
| 1546 | N | 27.9 | Very low | 26.3 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | -160.4 | 157.2 | 107.7 | -87.1 | -22.7 | 0 | 0 | 0 | 109.5 | |||||
| 1547 | Q | 23.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 62% | 0.621 | 70% | 0.696 | S | S | * | * | cis | -170.3 | 145.9 | -40 | -126.5 | -175.6 | 76.4 | 0 | 0 | 108.4 | ||||
| 1548 | L | 27.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | 64.7 | 164.4 | 174.1 | -77.5 | 69.5 | 0 | 0 | 0 | 116.3 | ||||
| 1549 | P | 28.3 | Very low | 26.3 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | cis | -122.3 | 179.4 | -25.6 | 31.7 | -12.5 | 0 | 0 | 0 | 112.4 | ||||
| 1550 | P | 26.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -75.1 | 162.9 | 172.2 | 33.8 | -38 | 0 | 0 | 0 | 112.1 | ||||
| 1551 | P | 29.5 | Very low | 25.9 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | -146.9 | -147.3 | 112.4 | 46.8 | -29.4 | 0 | 0 | 0 | 112.7 | |||||
| 1552 | P | 25.2 | Very low | 25.7 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 58% | 0.584 | 70% | 0.701 | S | S | * | * | -129 | 179.6 | -128.4 | 26.6 | 1.2 | 0 | 0 | 0 | 116.1 | L1554 | P1552-L1554 HydrophobicContact CG-CD1 3.97Š| |||
| 1553 | P | 27.9 | Very low | 26.3 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -66.9 | 137.2 | 163.2 | 28.7 | -35.8 | 0 | 0 | 0 | 112 | ||||
| 1554 | L | 25.7 | Very low | 26.5 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -134.5 | 156.2 | 169 | -83.4 | 112.1 | 0 | 0 | 0 | 111.5 | P1552 | P1552-L1554 HydrophobicContact CG-CD1 3.97Š| ||
| 1555 | P | 24.5 | Very low | 26.5 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 51% | 0.506 | 72% | 0.718 | S | S | . | * | trans | -131.3 | 173.4 | -136.9 | 43.4 | -29.8 | 0 | 0 | 0 | 115.7 | F1557 | P1555-F1557 VanDerWaalsContact C-N 3.26Å; P1555-F1557 HydrophobicContact CB-CD2 3.9Å; P1555-F1557 HydrophobicContact CB-CE2 4.42Å; P1555-F1557 HydrophobicContact CG-CD2 3.9Å; P1555-F1557 PolarHBondContact O-N 2.79Å | ||
| 1556 | P | 25.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -76 | 67.3 | 171.8 | 33.1 | -37.6 | 0 | 0 | 0 | 113.2 | ||
| 1557 | F | 24.1 | Very low | 26.5 | Very low | 155 Ų | 155 | 131 Ų | 131 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | -141.4 | 136.2 | 170.6 | -64.8 | -87.1 | 0 | 0 | 0 | 108.7 | P1555 | P1555-F1557 VanDerWaalsContact C-N 3.26Å; P1555-F1557 HydrophobicContact CB-CD2 3.9Å; P1555-F1557 HydrophobicContact CB-CE2 4.42Å; P1555-F1557 HydrophobicContact CG-CD2 3.9Å; P1555-F1557 PolarHBondContact O-N 2.79Å | ||
| 1558 | L | 24.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | 66 | 65.9 | 35.6 | -146.4 | 176.7 | 0 | 0 | 0 | 113.1 | ||||
| 1559 | H | 24.5 | Very low | 26.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | -112.7 | 81.4 | 166.4 | -116.4 | -67.6 | 0 | 0 | 0 | 112.8 | F1561 | H1559-F1561 PolarHBondContact ND1-O 3.41Š| ||
| 1560 | R | 23.6 | Very low | 26.5 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -84.8 | 127.1 | 161.4 | -165.1 | -167.1 | -172.5 | -160.3 | 3.3 | 107.8 | ||||
| 1561 | F | 24.2 | Very low | 26.8 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 63% | 0.627 | 75% | 0.745 | S | S | * | * | trans | 66 | 167.4 | 175.5 | -52.4 | -60.2 | 0 | 0 | 0 | 115.6 | H1559 | H1559-F1561 PolarHBondContact ND1-O 3.41Š| ||
| 1562 | L | 23.2 | Very low | 26.8 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | cis | -126.3 | 160 | 2.3 | -83 | 84.2 | 0 | 0 | 0 | 112.5 | ||||
| 1563 | T | 37.8 | Very low | 26.9 | Very low | 129 Ų | 129 | 146 Ų | 146 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -59.9 | 136.6 | 152.6 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1564 | P | 28.5 | Very low | 27 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | -106.6 | 167.7 | 151.7 | 32.8 | -20.9 | 0 | 0 | 0 | 111.3 | ||||
| 1565 | P | 28 | Very low | 27.2 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | -129.5 | 152 | -124.7 | 39.6 | -27.4 | 0 | 0 | 0 | 116.7 | |||||
| 1566 | C | 27.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -167.9 | 99.5 | 134.2 | -113 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1567 | T | 26.4 | Very low | 28 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 30.7 | 109.8 | 139.7 | 64.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1568 | R | 26.6 | Very low | 28.5 | Very low | 219 Ų | 219 | 144.1 Ų | 144.1 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | 175.1 | 117.6 | 105.2 | -91.4 | 161 | -171 | -152.6 | 2.3 | 114.1 | |||||
| 1569 | R | 27.7 | Very low | 28.8 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 62.4 | 111.1 | 124.8 | -64.4 | -176.6 | 174.5 | -170.1 | -2.6 | 121.2 | |||||
| 1570 | F | 25.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | 45 | 148.5 | 103.6 | -73.5 | -60.8 | 0 | 0 | 0 | 120.6 | |||||
| 1571 | P | 33.4 | Very low | 29.4 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | -141.2 | -133.3 | -52.1 | 31.5 | -6.3 | 0 | 0 | 0 | 110.7 | |||||
| 1572 | I | 28.4 | Very low | 30 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | 95.2 | 105 | 155 | -69.1 | 163.7 | 0 | 0 | 0 | 118.6 | ||||
| 1573 | Q | 27 | Very low | 30.4 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | 52.7 | 145.7 | 126.9 | -63.4 | 175.5 | -20.9 | 0 | 0 | 121.1 | |||||
| 1574 | S | 29.4 | Very low | 30.2 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | cis | 177.2 | 168.4 | -5.1 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1575 | N | 31.5 | Very low | 30.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 76.9 | 146.8 | 146 | -64.6 | -15.7 | 0 | 0 | 0 | 121.3 | ||||
| 1576 | G | 32.9 | Very low | 30.4 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | 123.4 | 55.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1577 | H | 33.9 | Very low | 30.5 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | 58.7 | 134 | 96.4 | -73.7 | -60.8 | 0 | 0 | 0 | 114.1 | |||||
| 1578 | I | 33.4 | Very low | 30.7 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -154.8 | 129.5 | 29.3 | -127.3 | 148.1 | 0 | 0 | 0 | 108.4 | ||||
| 1579 | K | 30.8 | Very low | 30.8 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | 75.8 | 139.7 | 92.1 | -78 | -156.1 | 165.8 | -175.7 | 0 | 115.4 | |||||
| 1580 | L | 30.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | cis | -161.9 | 149.9 | -10.1 | -87.7 | -179.9 | 0 | 0 | 0 | 110.7 | ||||
| 1581 | L | 30.3 | Very low | 31 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | 41.3 | 173.7 | 127.8 | -54.9 | 178.8 | 0 | 0 | 0 | 123 | |||||
| 1582 | P | 36 | Very low | 30.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | cis | -117.7 | -177.9 | -24.2 | 14.7 | 9.7 | 0 | 0 | 0 | 111 | ||||
| 1583 | G | 31.5 | Very low | 30.7 | Very low | 61 Ų | 61 | 132.5 Ų | 132.5 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | cis | 138.9 | 164.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1584 | N | 34.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | 66.8 | 152.8 | -177.9 | -63.4 | -18.4 | 0 | 0 | 0 | 115.5 | ||||
| 1585 | N | 31.9 | Very low | 30.5 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | cis | -164.9 | 139.6 | -26 | -111.6 | -31.1 | 0 | 0 | 0 | 109.2 | ||||
| 1586 | R | 29 | Very low | 30.2 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | trans | 67.5 | 160 | 149.4 | -64.3 | -179.5 | -170.2 | 174.7 | 0.3 | 115.9 | ||||
| 1587 | N | 29.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | cis | -144.4 | 171 | -3.5 | -129.1 | 26.1 | 0 | 0 | 0 | 111.7 | ||||
| 1588 | D | 30 | Very low | 29.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | trans | 54.7 | 64.4 | 144.3 | -52.1 | -22.1 | 0 | 0 | 0 | 121.1 | ||||
| 1589 | G | 29.5 | Very low | 29 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | 82 | -166.8 | 116.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1590 | Y | 30.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | cis | -148.2 | 135.3 | -16.2 | -130.2 | -134.2 | 0 | 0 | 0 | 105.3 | ||||
| 1591 | I | 26.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 54% | 0.544 | 71% | 0.712 | S | S | . | * | 54.1 | 120.8 | 100.5 | -73.3 | 178.5 | 0 | 0 | 0 | 112.5 | |||||
| 1592 | K | 26.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 68% | 0.683 | 71% | 0.711 | S | S | * | * | cis | -172.7 | 178.1 | 12.3 | -133.2 | -178 | -119.4 | 151.1 | 0 | 113.4 | ||||
| 1593 | E | 28.5 | Very low | 28 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -47 | 137.1 | 152.6 | -49.6 | 137.1 | 113.5 | 0 | 0 | 112.9 | ||||
| 1594 | K | 27.2 | Very low | 27.7 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | -175.5 | 103.4 | 157.7 | -101.2 | 166.7 | -179.4 | -173.9 | 0 | 105.3 | ||||
| 1595 | Q | 26 | Very low | 27.3 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | cis | 59.5 | 119.6 | 27.7 | -143.2 | -164.9 | 38.8 | 0 | 0 | 113.6 | ||||
| 1596 | C | 24.4 | Very low | 27.4 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | trans | 69.9 | 149.6 | 172.8 | -58.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1597 | H | 25.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | cis | -152.4 | 151.8 | 17.3 | -119.1 | -45.1 | 0 | 0 | 0 | 111.9 | ||||
| 1598 | C | 25.2 | Very low | 27.4 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | 71.4 | 155.5 | 141.2 | -69.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1599 | T | 24.9 | Very low | 27.3 | Very low | 107 Ų | 107 | 138 Ų | 138 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | cis | -162.4 | 141.2 | -6.6 | 18.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1600 | L | 25.3 | Very low | 27.3 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | 62.4 | 154.2 | 152.8 | -86.1 | 80 | 0 | 0 | 0 | 117.5 | ||||
| 1601 | S | 26.6 | Very low | 27.1 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | cis | -161.8 | 152 | -10.7 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1602 | N | 27.5 | Very low | 27.1 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -44.1 | 136.4 | 160 | -48.4 | -15.4 | 0 | 0 | 0 | 113.2 | R1417 | R1417-N1602 PolarHBondContact NH2-O 3.26Š| ||
| 1603 | I | 26.7 | Very low | 27 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | -154 | 131.3 | 132.5 | -99.7 | 147.8 | 0 | 0 | 0 | 109.7 | R1417 | R1417-I1603 VanDerWaalsContact NH2-CD1 3.31Š| ||
| 1604 | N | 26.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -79.8 | 151.5 | 173.6 | -34.8 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 1605 | K | 25.5 | Very low | 26.9 | Very low | 205 Ų | 205 | 138 Ų | 138 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | -179.9 | 141.4 | 116.9 | -99.3 | 164.6 | -179 | -174.7 | 0 | 115.6 | |||||
| 1606 | L | 32.6 | Very low | 27 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -52.6 | 155.5 | 161.8 | -106.5 | 69 | 0 | 0 | 0 | 113.2 | ||||
| 1607 | P | 30.4 | Very low | 27.1 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | -139.9 | 174.1 | 76.9 | 33.8 | -15.6 | 0 | 0 | 0 | 114.4 | |||||
| 1608 | N | 27.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -164.2 | 164.2 | -21.5 | -100.2 | -18.4 | 0 | 0 | 0 | 109.8 | ||||
| 1609 | L | 29.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | -52.6 | 161.9 | 167.9 | -108 | 66.6 | 0 | 0 | 0 | 115.2 | K1611 | L1609-K1611 HydrophobicContact CD2-CD 3.78Å; L1609-K1611 HydrophobicContact CD2-CG 3.76Å; L1609-K1611 HydrophobicContact CG-CG 4.45Å | ||
| 1610 | P | 28.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | -127.3 | 169.6 | 56.1 | 37.8 | -22.8 | 0 | 0 | 0 | 115 | |||||
| 1611 | K | 25.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | cis | 81.8 | 151.1 | 31.6 | -87.5 | -169.9 | -178.4 | -176.6 | 0 | 116.5 | L1609 | L1609-K1611 HydrophobicContact CD2-CD 3.78Å; L1609-K1611 HydrophobicContact CD2-CG 3.76Å; L1609-K1611 HydrophobicContact CG-CG 4.45Å | ||
| 1612 | F | 28.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | 81.4 | 128.1 | -171.8 | -52.7 | -71.6 | 0 | 0 | 0 | 114.4 | ||||
| 1613 | T | 25.5 | Very low | 27.2 | Very low | 115 Ų | 115 | 142 Ų | 142 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | 111.6 | 120.3 | 4.7 | 67.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1614 | N | 26 | Very low | 27.2 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | 78.9 | 129.9 | 146.7 | -77.3 | 3.7 | 0 | 0 | 0 | 123.5 | ||||
| 1615 | L | 26.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | 67 | 129.9 | 146.6 | -87.2 | 78.8 | 0 | 0 | 0 | 121.9 | ||||
| 1616 | G | 27.6 | Very low | 27.2 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | 142.4 | 90.1 | 122.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1617 | L | 27.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | 60.7 | 110.2 | 134.4 | -60.4 | 169.2 | 0 | 0 | 0 | 123.6 | ||||
| 1618 | L | 26.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | 75.5 | 147.1 | 120 | -81.3 | 174.8 | 0 | 0 | 0 | 125.6 | |||||
| 1619 | Y | 26.7 | Very low | 26.9 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | trans | 76.8 | 114 | 160.3 | -73.3 | -66.1 | 0 | 0 | 0 | 121.4 | ||||
| 1620 | E | 28 | Very low | 26.9 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | 17 | 151.9 | 116.3 | -45.3 | 175.7 | 158.5 | 0 | 0 | 118.9 | |||||
| 1621 | T | 25.4 | Very low | 27 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | cis | -144.9 | 164.2 | 23.7 | 29.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1622 | E | 24.6 | Very low | 27.1 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 40 | 131.1 | 139.2 | -67.5 | -167 | -167.6 | 0 | 0 | 124.2 | ||||
| 1623 | N | 25.8 | Very low | 27.1 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | 70.8 | 134.6 | 129.2 | -70 | -38.7 | 0 | 0 | 0 | 122.9 | |||||
| 1624 | H | 26.8 | Very low | 27.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | 80.5 | 133.8 | 138.2 | -84.5 | -44.3 | 0 | 0 | 0 | 122.5 | ||||
| 1625 | I | 25.5 | Very low | 27.5 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | trans | 89.4 | 84.2 | 135.7 | -71.2 | 167.4 | 0 | 0 | 0 | 118.1 | ||||
| 1626 | T | 25.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | 73 | 152 | 128.9 | 70.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1627 | N | 27.2 | Very low | 27.7 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | 49.7 | 130.2 | 131.9 | -67.2 | 1.8 | 0 | 0 | 0 | 119.7 | ||||
| 1628 | S | 28.2 | Very low | 27.8 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | cis | 177.6 | 166.9 | 10.1 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1629 | N | 29.7 | Very low | 27.8 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | trans | 69.7 | 135.5 | 136.9 | -74.6 | 0.1 | 0 | 0 | 0 | 120.9 | ||||
| 1630 | N | 29.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | 92.5 | 135.7 | 143.3 | -66.1 | -9.6 | 0 | 0 | 0 | 119.3 | ||||
| 1631 | V | 30.2 | Very low | 27.7 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 62% | 0.618 | 68% | 0.682 | S | S | * | * | cis | 153.8 | 161.3 | -18.9 | 140.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1632 | M | 28.2 | Very low | 27.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 80% | 0.803 | 69% | 0.688 | S | S | * | * | trans | 74.2 | 139.4 | 167.2 | -84.3 | 158.6 | -162.6 | 0 | 0 | 116.1 | ||||
| 1633 | N | 28.5 | Very low | 27.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | cis | -167.5 | -175.7 | -16.2 | -136.3 | 15.1 | 0 | 0 | 0 | 111.8 | ||||
| 1634 | T | 31.3 | Very low | 28 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | trans | 69.2 | 134.4 | 145.7 | 47.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1635 | T | 28.4 | Very low | 28.1 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | cis | -177.5 | 176.6 | -30.2 | 26.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1636 | D | 28.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | trans | 79.2 | 99.8 | 145.9 | -58.1 | -28.9 | 0 | 0 | 0 | 121.1 | ||||
| 1637 | H | 29.9 | Very low | 28.7 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | 74.7 | 121.8 | 113.7 | -79.8 | -68.2 | 0 | 0 | 0 | 123 | |||||
| 1638 | D | 28.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | 95.9 | 134.4 | 119.3 | -84.5 | 24.7 | 0 | 0 | 0 | 125.2 | |||||
| 1639 | N | 28 | Very low | 29 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | trans | 74.8 | 103.1 | 138 | -68.6 | -38.4 | 0 | 0 | 0 | 123.7 | ||||
| 1640 | Q | 25.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | 71.8 | 164.9 | 115.6 | -65.6 | -175.5 | 11.5 | 0 | 0 | 122.6 | |||||
| 1641 | E | 26.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 58% | 0.575 | 71% | 0.712 | S | S | * | * | trans | 82.8 | 99.1 | 157.2 | -63.4 | -96.1 | 101.3 | 0 | 0 | 121.4 | ||||
| 1642 | R | 25.9 | Very low | 28.9 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | 59.1 | 126 | 120.6 | -64.8 | 178.8 | 174.1 | 145.2 | -3.9 | 122.9 | |||||
| 1643 | G | 27 | Very low | 28.9 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | 94.6 | 158.5 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1644 | V | 30.6 | Very low | 29 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | cis | -143 | 152.9 | 5 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1645 | T | 28.5 | Very low | 28.8 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | -76.9 | 161.4 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1646 | I | 32.6 | Very low | 28.8 | Very low | 175 Ų | 175 | 143 Ų | 143 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -153.6 | 149.4 | 143.5 | -104.5 | 148.9 | 0 | 0 | 0 | 110.6 | ||||
| 1647 | H | 29.9 | Very low | 28.7 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | trans | -95.7 | 154.2 | -177.1 | -93.2 | -95.2 | 0 | 0 | 0 | 112.9 | ||||
| 1648 | D | 32.7 | Very low | 28.5 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | -172.3 | 121.1 | 111.7 | -93.2 | -26.3 | 0 | 0 | 0 | 109.5 | |||||
| 1649 | N | 30.4 | Very low | 28.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | 71 | 97.4 | 72.2 | -72.5 | -46.1 | 0 | 0 | 0 | 114.6 | |||||
| 1650 | I | 32.4 | Very low | 28.4 | Very low | 166 Ų | 166 | 141 Ų | 141 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | 173 | 149.8 | 122.4 | -89.8 | 153.9 | 0 | 0 | 0 | 109.8 | |||||
| 1651 | K | 27.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | cis | 178.6 | 128.5 | -36.3 | -151.2 | 177.1 | 175.9 | -74.2 | 0 | 106.5 | ||||
| 1652 | E | 26.8 | Very low | 28.6 | Very low | 150 Ų | 150 | 144 Ų | 144 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 62.7 | 161.1 | 164.3 | -74.1 | 140.9 | -172 | 0 | 0 | 116.7 | ||||
| 1653 | M | 28.4 | Very low | 28.7 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -155 | 149.2 | 17.9 | -152.9 | 167.2 | 179.6 | 0 | 0 | 113.2 | ||||
| 1654 | S | 29.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | 51.9 | 119.4 | 153.1 | 55.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1655 | N | 27.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 50 | 115.1 | 65.2 | -70.1 | -8.2 | 0 | 0 | 0 | 115.6 | |||||
| 1656 | F | 27.9 | Very low | 28.7 | Very low | 213 Ų | 213 | 146.3 Ų | 146.3 | 93% | 0.934 | 75% | 0.748 | S | S | * | * | -154.9 | 143.2 | 128.4 | -118.3 | -76.6 | 0 | 0 | 0 | 111.2 | |||||
| 1657 | S | 27.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | -122.1 | -172.9 | 175.7 | 61 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1658 | C | 26.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | 73.2 | 115.5 | -175.3 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1659 | C | 28.1 | Very low | 28 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | 83.8 | 149.5 | 65.2 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1660 | D | 25.2 | Very low | 27.9 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | 62.2 | 112.1 | -175.7 | -45.9 | -26 | 0 | 0 | 0 | 113.4 | ||||
| 1661 | Y | 28.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | cis | -143.7 | 131.8 | 47.9 | -106.6 | -112.7 | 0 | 0 | 0 | 114.1 | ||||
| 1662 | M | 27 | Very low | 27.5 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | 51 | 115.6 | 126.7 | -59.6 | -162.5 | 122.9 | 0 | 0 | 119.4 | |||||
| 1663 | S | 28.7 | Very low | 27.4 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | 78.9 | 146.4 | 56.6 | 84.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1664 | N | 28.9 | Very low | 27.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 69.3 | 108.8 | -169 | -32.9 | -12.4 | 0 | 0 | 0 | 111 | ||||
| 1665 | Y | 29.8 | Very low | 27.5 | Very low | 225 Ų | 225 | 141 Ų | 141 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | cis | -115.2 | 146.8 | 9.7 | -73.1 | -110.3 | 0 | 0 | 0 | 108.6 | ||||
| 1666 | E | 27.4 | Very low | 27.5 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | cis | 64.8 | 120.5 | 8.8 | -99.2 | -175.5 | -172.2 | 0 | 0 | 119.3 | ||||
| 1667 | S | 26.9 | Very low | 27.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | trans | 61.3 | 121.1 | 151.5 | 63.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1668 | E | 27.1 | Very low | 27.6 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | 68.3 | 100.9 | 124.3 | -66.5 | -175 | 155.2 | 0 | 0 | 121.4 | C1670 | E1668-C1670 VanDerWaalsContact CB-O 3.3Å; E1668-C1670 WeakPolarHBondContact CB-O 3.49Å; E1668-C1670 WeakPolarHBondContact CG-O 3.15Å | |||
| 1669 | I | 26.5 | Very low | 27.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 92% | 0.918 | 72% | 0.722 | S | S | * | * | S | Bend | -124.8 | 106.2 | 110.4 | -53 | 175.3 | 0 | 0 | 0 | 104.3 | |||
| 1670 | C | 28.5 | Very low | 27.7 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | cis | -63.3 | 121.1 | 38.7 | -55.8 | 0 | 0 | 0 | 0 | 119.5 | E1668 | E1668-C1670 VanDerWaalsContact CB-O 3.3Å; E1668-C1670 WeakPolarHBondContact CB-O 3.49Å; E1668-C1670 WeakPolarHBondContact CG-O 3.15Å | ||
| 1671 | S | 26.6 | Very low | 27.9 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | 178.1 | 97.8 | 112.5 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1672 | Q | 24.2 | Very low | 28.1 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | trans | -175.6 | 128.4 | 148.5 | -107.8 | 170.5 | 67.1 | 0 | 0 | 106.4 | ||||
| 1673 | C | 25.3 | Very low | 28.3 | Very low | 102 Ų | 102 | 134 Ų | 134 | 69% | 0.689 | 71% | 0.71 | S | S | * | * | S | Bend | cis | -123.9 | 154 | 5.1 | -85.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1674 | Q | 31 | Very low | 28.4 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | cis | -157.8 | 161.4 | 10.2 | -116.8 | 168.4 | -23.2 | 0 | 0 | 108.3 | ||||
| 1675 | L | 28.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 71% | 0.707 | 71% | 0.711 | S | S | * | * | trans | 38 | 135.4 | 134.2 | -54 | 169.5 | 0 | 0 | 0 | 119.1 | ||||
| 1676 | I | 28.5 | Very low | 28.3 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 65% | 0.646 | 70% | 0.7 | S | S | * | * | cis | -163.7 | 151.3 | 15.3 | -134.5 | 169.2 | 0 | 0 | 0 | 113.3 | ||||
| 1677 | N | 28.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | trans | 51.9 | 124.5 | 147.1 | -70.2 | -11 | 0 | 0 | 0 | 122.6 | ||||
| 1678 | L | 28.1 | Very low | 28.4 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | 73.8 | 117.1 | 120.2 | -59.7 | 172.1 | 0 | 0 | 0 | 116.2 | |||||
| 1679 | R | 25.8 | Very low | 28.3 | Very low | 212 Ų | 212 | 128.6 Ų | 128.6 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | 50 | 107.2 | 79.9 | -59.1 | -171.7 | -162.9 | 162.5 | -2.5 | 112 | |||||
| 1680 | N | 30.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | -170.6 | 127.7 | 98.9 | -80.7 | -17.6 | 0 | 0 | 0 | 105.6 | |||||
| 1681 | S | 29.6 | Very low | 28.5 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | 51.4 | 132.2 | 57.5 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1682 | P | 32.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 62% | 0.623 | 71% | 0.708 | S | S | * | * | cis | -114.4 | 176.4 | 34.1 | 39.4 | -25.5 | 0 | 0 | 0 | 112.1 | ||||
| 1683 | T | 31.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | cis | 57.8 | 159.2 | 39.1 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1684 | P | 30.5 | Very low | 28.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | cis | -127.4 | -125.8 | 13 | 31.9 | -4.5 | 0 | 0 | 0 | 113.6 | ||||
| 1685 | P | 29.3 | Very low | 28.7 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 62% | 0.623 | 70% | 0.697 | S | S | * | * | -144.7 | -158.9 | -113 | 49.1 | -29.1 | 0 | 0 | 0 | 116.3 | |||||
| 1686 | I | 27.2 | Very low | 28.4 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | 59.3 | 115.3 | 153.9 | -65 | 166.6 | 0 | 0 | 0 | 116.2 | ||||
| 1687 | H | 30.2 | Very low | 28.2 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | -140.4 | 141.6 | 55.5 | -82.3 | -75.2 | 0 | 0 | 0 | 110.6 | |||||
| 1688 | E | 25.7 | Very low | 28 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | 74.8 | 136.2 | 57.6 | -69 | -168.6 | 127.1 | 0 | 0 | 116.1 | |||||
| 1689 | A | 26.2 | Very low | 27.9 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | trans | 58.7 | 116.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1690 | I | 27 | Very low | 27.9 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | 58 | 114.9 | 68.3 | -58 | 166 | 0 | 0 | 0 | 109.5 | |||||
| 1691 | P | 30.7 | Very low | 27.8 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | -152 | 168.6 | 57.8 | 43.1 | -24.6 | 0 | 0 | 0 | 119.1 | |||||
| 1692 | Y | 29.5 | Very low | 27.6 | Very low | 225 Ų | 225 | 130.3 Ų | 130.3 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | trans | 66.1 | 155.1 | 162.5 | -46.9 | -53.3 | 0 | 0 | 0 | 116.7 | ||||
| 1693 | S | 28.8 | Very low | 27.3 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -136 | 168 | 4.3 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1694 | T | 27.7 | Very low | 27 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 69% | 0.693 | 70% | 0.703 | S | S | * | * | trans | 35.6 | 120.6 | 147.1 | 56.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1695 | T | 25.5 | Very low | 27.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | cis | -164.4 | 155.2 | 6.3 | 6.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1696 | M | 23.5 | Very low | 27.3 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | 33.1 | 133.7 | 95.6 | -70.7 | -174.4 | 169.9 | 0 | 0 | 114.8 | |||||
| 1697 | N | 24.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 57% | 0.572 | 72% | 0.715 | S | S | * | * | cis | -161.9 | 177.7 | 13.2 | -125.8 | -21.7 | 0 | 0 | 0 | 113 | R1699 | N1697-R1699 PolarHBondContact O-N 3.39Š| ||
| 1698 | M | 24 | Very low | 26.8 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | trans | -18.7 | 127.2 | 144.2 | -45.2 | 167.6 | -133.4 | 0 | 0 | 113.8 | ||||
| 1699 | R | 25.2 | Very low | 26.7 | Very low | 223 Ų | 223 | 129.6 Ų | 129.6 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | -167.2 | 128.7 | 116.3 | -101.4 | 152.4 | -169.1 | -169.7 | 2.6 | 108.1 | N1697 | N1697-R1699 PolarHBondContact O-N 3.39Š| |||
| 1700 | N | 26.8 | Very low | 26.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | 64.1 | 129.1 | 89.3 | -67.4 | 29.4 | 0 | 0 | 0 | 110.8 | |||||
| 1701 | S | 26.7 | Very low | 26.4 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | cis | -174.4 | -177.3 | 8.9 | 40.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1702 | L | 26.2 | Very low | 26.1 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | 10 | 136 | 126.3 | -62.2 | 82.9 | 0 | 0 | 0 | 116 | |||||
| 1703 | N | 26.9 | Very low | 25.9 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | cis | -161.7 | 167.9 | 8.9 | -126.7 | 36.2 | 0 | 0 | 0 | 114.8 | ||||
| 1704 | D | 25.3 | Very low | 25.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | trans | -11.2 | 147.3 | 143.9 | -53.2 | -55 | 0 | 0 | 0 | 119 | ||||
| 1705 | C | 37.5 | Very low | 26 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | -20.3 | 149.3 | 158.4 | -53.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1706 | P | 28 | Very low | 26.1 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 83% | 0.831 | 70% | 0.701 | S | S | * | * | -101.7 | 140.8 | 92.7 | -18.9 | 33.8 | 0 | 0 | 0 | 113.3 | |||||
| 1707 | N | 24.3 | Very low | 26.4 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | cis | 62.7 | 128.6 | 45.9 | -95.9 | -25.9 | 0 | 0 | 0 | 114.3 | ||||
| 1708 | I | 23.4 | Very low | 26.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | 61 | 119.7 | 132 | -66.7 | 170.4 | 0 | 0 | 0 | 115.6 | ||||
| 1709 | T | 23.1 | Very low | 26.7 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | cis | -179.2 | -173 | 15 | 21.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1710 | I | 23.6 | Very low | 26.7 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | 70.7 | 132.7 | 143.9 | -80.4 | 155.5 | 0 | 0 | 0 | 114.9 | ||||
| 1711 | C | 23.7 | Very low | 26.7 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | cis | 166.1 | 152.5 | -12.7 | -105.2 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 1712 | N | 24.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | 67.7 | 155.7 | 159.2 | -54.5 | -9.6 | 0 | 0 | 0 | 115.7 | ||||
| 1713 | T | 24.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | cis | -166.1 | 135.5 | -14.3 | 21.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1714 | D | 28.9 | Very low | 26.4 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | trans | 60.7 | 171 | 150.3 | -57.2 | -38.7 | 0 | 0 | 0 | 117.7 | ||||
| 1715 | P | 30.6 | Very low | 26.5 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | cis | -107.9 | 155.6 | -5.9 | 43.8 | -33.2 | 0 | 0 | 0 | 111.9 | ||||
| 1716 | I | 28.4 | Very low | 26 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | 57.5 | 116.7 | 61.4 | -57.5 | 175.6 | 0 | 0 | 0 | 109.9 | |||||
| 1717 | P | 29.6 | Very low | 25.9 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | cis | -138.2 | 163.4 | 48.9 | 43.4 | -27.9 | 0 | 0 | 0 | 117.6 | ||||
| 1718 | T | 26.3 | Very low | 26.1 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | trans | 18.1 | 143 | 138.5 | 73.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1719 | T | 26.7 | Very low | 26.1 | Very low | 113 Ų | 113 | 118 Ų | 118 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | cis | -153.5 | 149.4 | 38 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1720 | T | 26.5 | Very low | 26.2 | Very low | 101 Ų | 101 | 117 Ų | 117 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | 56.6 | 117.8 | 142.1 | 58.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1721 | N | 26.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | 60.7 | 141.7 | 109.9 | -52.1 | -0.3 | 0 | 0 | 0 | 119.6 | |||||
| 1722 | N | 26.2 | Very low | 26.4 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | cis | -159.7 | 161.2 | -5 | -121.7 | 2.4 | 0 | 0 | 0 | 113.5 | ||||
| 1723 | T | 24.1 | Very low | 26.7 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 57% | 0.571 | 68% | 0.683 | S | S | * | * | trans | 0.7 | 122.2 | 138.6 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1724 | T | 23.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | 48.3 | 130.9 | 85.9 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1725 | H | 27.9 | Very low | 26.8 | Very low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | -153.7 | 132.4 | 59.1 | -79.6 | -78.2 | 0 | 0 | 0 | 109.7 | |||||
| 1726 | S | 26.8 | Very low | 26.6 | Very low | 82 Ų | 82 | 117.2 Ų | 117.2 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | 71.5 | 164.6 | 57.7 | 87.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1727 | I | 26.5 | Very low | 26.5 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 80% | 0.795 | 69% | 0.69 | S | S | * | * | trans | 61.7 | 142.6 | -176.1 | -1.7 | 178.7 | 0 | 0 | 0 | 111.8 | ||||
| 1728 | I | 26.6 | Very low | 26.4 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | cis | -138.7 | 119.2 | 18.5 | -70.1 | 177.5 | 0 | 0 | 0 | 106 | ||||
| 1729 | S | 24 | Very low | 26.5 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | 47.8 | 153.7 | 104.7 | 91.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1730 | S | 25.4 | Very low | 26.5 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 57% | 0.566 | 70% | 0.697 | S | S | * | * | trans | 59 | 127.4 | 149.3 | 57 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1731 | D | 25.4 | Very low | 26.8 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | 71.6 | 148.9 | 136.7 | -60.4 | -9.1 | 0 | 0 | 0 | 118.5 | ||||
| 1732 | S | 26.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | cis | -167.3 | -170 | -12.4 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1733 | L | 30.6 | Very low | 26.7 | Very low | 146 Ų | 146 | 120 Ų | 120 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -15.6 | 140.1 | 160.7 | -74.9 | 65 | 0 | 0 | 0 | 117.9 | ||||
| 1734 | C | 26.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | -147.6 | 125.1 | 120.6 | -96.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1735 | C | 27.9 | Very low | 27 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | 67.9 | 129.8 | 76.8 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1736 | T | 27 | Very low | 26.9 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | -166.7 | 146.6 | 66 | 33.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1737 | N | 26.2 | Very low | 26.9 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | 56.8 | 130.7 | 133.7 | -59.8 | -9.6 | 0 | 0 | 0 | 123.7 | ||||
| 1738 | N | 27.4 | Very low | 26.9 | Very low | 134 Ų | 134 | 117 Ų | 117 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | trans | 90.3 | 125.2 | 137.5 | -63.8 | -12.2 | 0 | 0 | 0 | 121.6 | ||||
| 1739 | N | 29 | Very low | 27 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | 77.3 | 108.2 | 146.4 | -58.5 | -16.3 | 0 | 0 | 0 | 120.4 | ||||
| 1740 | C | 26.7 | Very low | 27.2 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | 4.4 | 145.1 | 123.2 | -61.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1741 | P | 31.9 | Very low | 27.4 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | cis | -151.8 | 148.7 | 49.7 | 39.6 | -18.9 | 0 | 0 | 0 | 120.7 | ||||
| 1742 | L | 25.7 | Very low | 27.7 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | trans | 47.6 | 130.1 | 133.2 | -76.1 | 78.8 | 0 | 0 | 0 | 123.5 | ||||
| 1743 | F | 24.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | 80.4 | 157.3 | 127.6 | -77.3 | -151.3 | 0 | 0 | 0 | 119.1 | K1215 | K1215-F1743 VanDerWaalsContact CE-O 3.23Å; K1215-F1743 WeakPolarHBondContact CE-O 3.45Å | |||
| 1744 | H | 28.1 | Very low | 27.7 | Very low | 55 Ų | 55 | 120.5 Ų | 120.5 | 26% | 0.255 | 65% | 0.647 | S | S | . | * | cis | -143.9 | -126.9 | 1 | -140 | -3.7 | 0 | 0 | 0 | 114 | K1215 H1216 Y1217 | K1215-H1744 WeakPolarHBondContact CB-O 3.21Å; K1215-H1744 VanDerWaalsContact CD-N 3.32Å; K1215-H1744 WeakPolarHBondContact CG-O 3.47Å; H1216-H1744 CarbonylContact C-O 3.55Å; H1216-H1744 WeakPolarHBondContact CA-O 3.36Å; H1216-H1744 PolarHBondContact CD2-O 2.9Å; H1216-H1744 PolarHBondContact N-O 2.79Å; H1216-H1744 CarbonylContact O-C 3.58Å; Y1217-H1744 AromaticContact CD2-CE1 3.96Å; Y1217-H1744 AromaticContact CD2-ND1 3.87Å; Y1217-H1744 AromaticContact CE2-CE1 3.13Å; Y1217-H1744 WeakPolarHBondContact CE2-CE1 3.26Å; Y1217-H1744 AromaticContact CE2-ND1 3.5Å; Y1217-H1744 AromaticContact CE2-NE2 3.97Å; Y1217-H1744 AromaticContact CZ-CE1 3.42Å; Y1217-H1744 VanDerWaalsContact CZ-CE1 3.42Å; Y1217-H1744 PolarHBondContact OH-CE1 3.03Å | ||
| 1745 | F | 26.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | trans | -69.4 | 136 | -158.4 | -92 | -79.5 | 0 | 0 | 0 | 127.6 | N1214 K1215 H1216 Y1217 | N1214-F1745 CarbonylContact C-O 3.55Å; K1215-F1745 CarbonylContact C-O 3.58Å; K1215-F1745 VanDerWaalsContact C-O 3.24Å; K1215-F1745 WeakPolarHBondContact CA-O 3.47Å; K1215-F1745 VanDerWaalsContact CB-O 3.26Å; K1215-F1745 WeakPolarHBondContact CB-O 3.44Å; K1215-F1745 PolarHBondContact N-O 2.66Å; H1216-F1745 PolarHBondContact N-O 3.37Å; H1216-F1745 CarbonylContact O-C 3.57Å; H1216-F1745 VanDerWaalsContact O-C 3.26Å; H1216-F1745 WeakPolarHBondContact O-CA 3.46Å; H1216-F1745 PolarHBondContact O-N 2.53Å; H1216-F1745 VanDerWaalsContact O-N 3.13Å; Y1217-F1745 AromaticContact CD2-CD1 3.79Å; Y1217-F1745 HydrophobicContact CD2-CD1 3.79Å; Y1217-F1745 HydrophobicContact CD2-CD2 4.27Å; Y1217-F1745 AromaticContact CD2-CE1 3.63Å; Y1217-F1745 HydrophobicContact CD2-CE1 3.63Å; Y1217-F1745 HydrophobicContact CD2-CE2 4.13Å; Y1217-F1745 HydrophobicContact CD2-CG 4.1Å; Y1217-F1745 AromaticContact CD2-CZ 3.82Å; Y1217-F1745 HydrophobicContact CD2-CZ 3.82Å; Y1217-F1745 HydrophobicContact CE2-CD1 4.31Å; Y1217-F1745 HydrophobicContact CE2-CD2 4.21Å; Y1217-F1745 AromaticContact CE2-CE1 3.81Å; Y1217-F1745 HydrophobicContact CE2-CE1 3.81Å; Y1217-F1745 AromaticContact CE2-CE2 3.7Å; Y1217-F1745 HydrophobicContact CE2-CE2 3.7Å; Y1217-F1745 HydrophobicContact CE2-CG 4.48Å; Y1217-F1745 AromaticContact CE2-CZ 3.48Å; Y1217-F1745 HydrophobicContact CE2-CZ 3.48Å; Y1217-F1745 VanDerWaalsContact CE2-CZ 3.48Å | ||
| 1746 | S | 26.1 | Very low | 27.8 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | trans | 52.6 | 178.1 | 138.2 | 59.9 | 0 | 0 | 0 | 0 | 124.2 | K1215 H1216 | K1215-S1746 PolarHBondContact N-O 2.98Å; H1216-S1746 VanDerWaalsContact C-N 3.34Å; H1216-S1746 PolarHBondContact O-N 3.37Å | ||
| 1747 | N | 26.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | cis | 175.5 | 140.1 | -49.7 | -141.2 | 48.5 | 0 | 0 | 0 | 110.6 | ||||
| 1748 | E | 27.5 | Very low | 27.9 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | trans | 59.1 | 170.7 | 153.3 | -71.3 | 172.1 | 132.7 | 0 | 0 | 123.3 | ||||
| 1749 | K | 28.4 | Very low | 28 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 73% | 0.73 | 62% | 0.624 | S | S | * | * | trans | 85.3 | 141.7 | 162.6 | -60.8 | -162.8 | 144.9 | -70.4 | 0 | 117.9 | ||||
| 1750 | D | 28.5 | Very low | 28.1 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | cis | -159.7 | 172.3 | -2.1 | -112.3 | -8.5 | 0 | 0 | 0 | 111.2 | ||||
| 1751 | D | 29.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | trans | 67.4 | 146 | 156.4 | -57.1 | -18.2 | 0 | 0 | 0 | 119.3 | ||||
| 1752 | D | 30.4 | Very low | 28 | Very low | 116 Ų | 116 | 125 Ų | 125 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | cis | -153.4 | 168.1 | -2.2 | -139.1 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 1753 | Q | 28.2 | Very low | 28.2 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | trans | 6.7 | 149.1 | 146.1 | -78.1 | 160.9 | 72.2 | 0 | 0 | 120.4 | ||||
| 1754 | H | 29.6 | Very low | 28.5 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | cis | -173.7 | 155.4 | 28.6 | -124.2 | -42.2 | 0 | 0 | 0 | 112.2 | ||||
| 1755 | N | 28.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | trans | 71.3 | 160.6 | 141 | -67 | -7.7 | 0 | 0 | 0 | 123.7 | ||||
| 1756 | E | 27.8 | Very low | 28.9 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | cis | -177.4 | 166.5 | -34.5 | -154.7 | 175.4 | 169.2 | 0 | 0 | 109 | ||||
| 1757 | Y | 28.4 | Very low | 29.3 | Very low | 184 Ų | 184 | 134 Ų | 134 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | 65.9 | 149.6 | 168.9 | -65.2 | -73.8 | 0 | 0 | 0 | 118.9 | ||||
| 1758 | M | 26.9 | Very low | 29.6 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | cis | -176.3 | 167.4 | -30.3 | -123.8 | -56.4 | -165.5 | 0 | 0 | 110.7 | ||||
| 1759 | H | 29.9 | Very low | 29.9 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | trans | 64.2 | 150.7 | 150.8 | -68 | -43.4 | 0 | 0 | 0 | 119.5 | ||||
| 1760 | H | 29.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | cis | -169.2 | 152.5 | -16.8 | -121.9 | -23.3 | 0 | 0 | 0 | 111.8 | ||||
| 1761 | L | 27.9 | Very low | 30.3 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | trans | 65.2 | 162.6 | 146 | -61.1 | 165.7 | 0 | 0 | 0 | 120 | ||||
| 1762 | D | 28.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | cis | -173.6 | 173.5 | -46.9 | -132.9 | -36.5 | 0 | 0 | 0 | 110.4 | ||||
| 1763 | Y | 29.7 | Very low | 30.3 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | 67.9 | 159 | 171.2 | -61.1 | -80.6 | 0 | 0 | 0 | 118.1 | ||||
| 1764 | S | 31.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | cis | 177.7 | 158.2 | -25.8 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1765 | T | 31.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | cis | -171.5 | 172.5 | -19.9 | 32.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1766 | N | 32.5 | Very low | 30.4 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | trans | 87.1 | 136 | 146.9 | -72.6 | -8.1 | 0 | 0 | 0 | 124.7 | ||||
| 1767 | S | 34.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 80 | 140 | 142.6 | 69.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1768 | L | 31.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | cis | -147.1 | 172.6 | -6.5 | -147 | 80 | 0 | 0 | 0 | 113.1 | ||||
| 1769 | T | 33.6 | Very low | 30.6 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -103.5 | 156 | -171 | 52.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1770 | T | 35.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -178.3 | 158.1 | 141.1 | 28.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1771 | I | 31.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | cis | -167 | 128.6 | -33.7 | -112.7 | 178.7 | 0 | 0 | 0 | 102.7 | ||||
| 1772 | Q | 30.2 | Very low | 30.8 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 81.2 | 110.8 | 44.2 | -179 | 115.1 | 14.7 | 0 | 0 | 114.3 | ||||
| 1773 | D | 29.6 | Very low | 31 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 80% | 0.799 | S | S | * | * | 168.9 | 176.9 | 117.5 | -100.7 | -35.1 | 0 | 0 | 0 | 115.3 | |||||
| 1774 | M | 32.2 | Very low | 31 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | 77.7 | 63.1 | 172.3 | -52.2 | -144.9 | 75.4 | 0 | 0 | 115.7 | ||||
| 1775 | F | 29.5 | Very low | 31 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | 72.9 | 129.3 | 73.3 | -110.6 | -86.9 | 0 | 0 | 0 | 116.7 | |||||
| 1776 | N | 26.2 | Very low | 31 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 153.6 | 174 | -62.2 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 1777 | S | 27.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -151.1 | 101.6 | 159.7 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1778 | C | 26 | Very low | 30.6 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | 67.3 | 117 | 152.3 | -64 | 0 | 0 | 0 | 0 | 121 | ||||
| 1779 | V | 34.1 | Very low | 30.5 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 100% | 1.345 | 82% | 0.821 | S | S | * | * | trans | 67.2 | 0 | 152.8 | -168.1 | 0 | 0 | 0 | 0 | 115.3 |
Retrieved 1,779 of 1,779 residues in 1239.3 ms
(Link to these results)